Murcko scaffold
MS-6408 scaffold
50 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 22
- Chemicals
- 50
- With full pages
- 15
Scaffold SMILES
O=C(C=Cc1ccccc1)NCCc1c[nH]c2ccccc12
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=C(C=Cc1ccccc1)NCCc1c[nH]c2ccccc12](/scaffold/YSNGDZDGGGVGHU-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 50 chemicals
N-(p-Coumaroyl)serotonin
CAS 68573-24-0C19H18N2O3
Centcyamine
CAS 366452-03-1C20H20N2O3
Nb-Feruloyltryptamine
CAS 53905-13-8C20H20N2O3
MS-6408
CAS 74582-72-2C19H18N2O
Cinnamoyl tryptamine
CAS 212707-61-4C19H18N2O
![Methyl {4-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]phenoxy}acetate chemical structure, C23H21N3O4, CAS 335207-15-3](/s/RFXFCGXHAFWAEZ-LDADJPATSA-N.svg)
Methyl {4-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]phenoxy}acetate
CAS 335207-15-3C23H21N3O4
![(E)-2-Acetamido-3-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide chemical structure, C21H20ClN3O2, CAS 1164554-48-6](/s/ZXJXQIFFWYWWJD-UDWIEESQSA-N.svg)
(E)-2-Acetamido-3-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CAS 1164554-48-6C21H20ClN3O2
N-(2-(6-(Methyloxy)-1H-indol-3-yl)ethyl)-3-(4-(methyloxy)phenyl)-2-propenamide
CAS 775291-52-6C21H22N2O3
3-(3,4-Bis(methyloxy)phenyl)-N-(2-(6-(methyloxy)-1H-indol-3-yl)ethyl)-2-propenamide
CAS 775292-28-9C22H24N2O4
![(2E)-N-[2-(6-Methoxy-1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide chemical structure, C21H22N2O3, CAS 775290-98-7](/s/BCAJELCYYOMSAH-JXMROGBWSA-N.svg)
(2E)-N-[2-(6-Methoxy-1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CAS 775290-98-7C21H22N2O3
![(E)-3-(3,4-Dimethoxyphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-propenamide chemical structure, C22H24N2O3, CAS 775292-29-0](/s/ABIAGKBDTATEQE-RMKNXTFCSA-N.svg)
(E)-3-(3,4-Dimethoxyphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-propenamide
CAS 775292-29-0C22H24N2O3
![(2E)-3-(4-Methoxyphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]prop-2-enamide chemical structure, C21H22N2O2, CAS 775291-53-7](/s/AQRWGDFAVBWYFK-UXBLZVDNSA-N.svg)
(2E)-3-(4-Methoxyphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
CAS 775291-53-7C21H22N2O2
![(2E)-N-[2-(5-Methyl-1H-indol-3-yl)ethyl]-3-(2-methylphenyl)prop-2-enamide chemical structure, C21H22N2O, CAS 775289-80-0](/s/DOUZALFMHJBZOC-CSKARUKUSA-N.svg)
(2E)-N-[2-(5-Methyl-1H-indol-3-yl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CAS 775289-80-0C21H22N2O
![(2E)-N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide chemical structure, C20H19ClN2O2, CAS 775290-39-6](/s/JJVMDNJEJWZIRU-RMKNXTFCSA-N.svg)
(2E)-N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CAS 775290-39-6C20H19ClN2O2
![(2E)-N-[2-(6-Methoxy-1H-indol-3-yl)ethyl]-3-(2-methylphenyl)prop-2-enamide chemical structure, C21H22N2O2, CAS 775290-97-6](/s/RJYZOTXSKOZLDT-JXMROGBWSA-N.svg)
(2E)-N-[2-(6-Methoxy-1H-indol-3-yl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CAS 775290-97-6C21H22N2O2
![(2E)-N-[2-(5-Methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide chemical structure, C20H20N2O, CAS 775289-79-7](/s/DCUJBDTYGVUEBM-CSKARUKUSA-N.svg)
(2E)-N-[2-(5-Methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CAS 775289-79-7C20H20N2O
![(2E)-3-(2-Methoxyphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]prop-2-enamide chemical structure, C21H22N2O2, CAS 775289-81-1](/s/VGTBEGUKUUESOF-CSKARUKUSA-N.svg)
(2E)-3-(2-Methoxyphenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]prop-2-enamide
CAS 775289-81-1C21H22N2O2
![(2E)-N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-(2-methylphenyl)prop-2-enamide chemical structure, C20H19ClN2O, CAS 775290-38-5](/s/FWANUXLLYKAPLU-RMKNXTFCSA-N.svg)
(2E)-N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CAS 775290-38-5C20H19ClN2O
![3-(3,4-Dimethoxy-phenyl)-N-[2-(1H-indol-3-yl)-ethyl]-acrylamide chemical structure, C21H22N2O3, CAS 934391-04-5](/s/LUUDTQOEAYLJDX-CSKARUKUSA-N.svg)
3-(3,4-Dimethoxy-phenyl)-N-[2-(1H-indol-3-yl)-ethyl]-acrylamide
CAS 934391-04-5C21H22N2O3
![N-[2-(1H-Indol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide chemical structure, C19H17N3O3, CAS 1025205-49-5](/s/AVOSVUCIXYAHLR-UHFFFAOYSA-N.svg)
N-[2-(1H-Indol-3-yl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
CAS 1025205-49-5C19H17N3O3
Nb-p-Coumaroyltryptamine
CAS 53905-12-7C19H18N2O2
N-Coumaroyl serotonin
CAS 201301-83-9C19H18N2O3
![(E)-3-(4-tert-Butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide chemical structure, C23H26N2O, CAS 256955-33-6](/s/XYIPOKICMMPCAH-JLHYYAGUSA-N.svg)
(E)-3-(4-tert-Butylphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CAS 256955-33-6C23H26N2O
![(E)-2-Acetamido-3-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide chemical structure, C23H25N3O3, CAS 378768-10-6](/s/PTCBLGOWELZIQW-HYARGMPZSA-N.svg)
(E)-2-Acetamido-3-(4-ethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CAS 378768-10-6C23H25N3O3
- 2 suppliersN-Feruloyl serotonin68573-23-9C20H20N2O4
- (E)-3-(2-Chloro-5-nitrophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide914636-54-7C19H16ClN3O3
- N-[2-(1H-Indol-3-yl)ethyl]-3-(4-isobutylphenyl)acrylamide329778-67-8C23H26N2O
- 3-(4-Chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]acrylamide329778-18-9C19H17ClN2O
- (E)-3-(4-Chloro-3-nitrophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide1025276-57-6C19H16ClN3O3
- 3-(4-Ethoxyphenyl)-N-(2-(1H-indol-3-yl)ethyl)acrylamide329777-83-5C21H22N2O2
- 3-(2,4-Dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]acrylamide329778-41-8C21H22N2O
- N-[2-(1H-Indol-3-yl)ethyl]-3-[4-(methylsulfanyl)phenyl]acrylamide329778-46-3C20H20N2OS
- (E)-3-(4-Bromophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide1025695-93-5C19H17BrN2O
- N-Cinnamoyl serotonin212707-59-0C19H18N2O2
- cis-Moschamine193224-24-7C20H20N2O4
- Centcyamine, (Z)-365540-94-9C20H20N2O3
- 1 suppliersCaffeoyltryptophan109163-69-1C20H18N2O5
- (2E)-N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide1341124-53-5C20H20N2O2
- N-Caffeoyl serotonin928765-97-3C19H18N2O4
- (E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide945453-47-4C19H18N2O3
- (R)-2-Cinnamamido-3-(1H-indol-3-yl)propanoic acid87579-14-4C20H18N2O3
- N-[3-(3-Chlorophenyl)acryloyl]-L-tryptophan87579-16-6C20H17ClN2O3
- N-(3-Phenylacryloyl)-L-tryptophan87579-13-3C20H18N2O3
- p-Coumaroyl-(l)-tryptophan171741-93-8C20H18N2O4
- N-[3-(4-Aminophenyl)acryloyl]-L-tryptophan926633-51-4C20H19N3O3
- N-(2-(Dimethylamino)-2-(1-methyl-1H-indol-3-yl)ethyl)cinnamamide1396890-41-7C22H25N3O
- N-(2-Hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)cinnamamide1448139-18-1C20H20N2O2
- Methyl 2-[[(Z)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate1105067-51-3C24H24N4O3
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(CCn1nnc2ccccc21)NN=Cc1ccccc130 chemicals
O=C(CCn1cnc2ccccc21)NN=Cc1ccccc111 chemicals![Scaffold O=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1](/scaffold/XHWXFANOHIMKIW-UHFFFAOYSA-N/structure.svg)
O=C(NN=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc19 chemicals![Scaffold O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1](/scaffold/VFUQGGUQKRPUGM-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc18 chemicals![Scaffold O=C(NCCc1c[nH]c2ccccc12)OCc1ccccc1](/scaffold/UMSQKAUFKBIDAW-UHFFFAOYSA-N/structure.svg)
O=C(NCCc1c[nH]c2ccccc12)OCc1ccccc17 chemicals![Scaffold O=C(COc1ccccc1)NN=Cc1c[nH]c2ccccc12](/scaffold/FVUFKSHRASCBEP-UHFFFAOYSA-N/structure.svg)
O=C(COc1ccccc1)NN=Cc1c[nH]c2ccccc126 chemicalsOc1ccccc1](/scaffold/XKRKGYFXGJKVIE-UHFFFAOYSA-N/structure.svg)
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