Murcko scaffold
Ring system with 3 rings and 23 atoms
17 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 23
- Chemicals
- 17
- With full pages
- 3
Scaffold SMILES
O=C(CSCC(=O)Nc1ccon1)N=c1[nH]c2ccccc2s1
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(CSCC(=O)Nc1ccon1)N=c1[nH]c2ccccc2s1](/scaffold/WHTDRERSCFNMRM-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 17 of 17 chemicals
![(Z)-Methyl 3-(2-methoxyethyl)-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate chemical structure, C20H22N4O6S2, CAS 1164561-70-9](/s/PQUFKXBRNFTINI-UHFFFAOYSA-N.svg)
(Z)-Methyl 3-(2-methoxyethyl)-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
CAS 1164561-70-9C20H22N4O6S2
![(Z)-N-(6-Bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C16H15BrN4O3S2, CAS 851717-14-1](/s/GSKWJJHEOBYPGE-UHFFFAOYSA-N.svg)
(Z)-N-(6-Bromo-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-14-1C16H15BrN4O3S2
![(Z)-N-(6-Fluoro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C18H15FN4O3S2, CAS 851717-18-5](/s/XEKQISSHWFJCEX-UHFFFAOYSA-N.svg)
(Z)-N-(6-Fluoro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-18-5C18H15FN4O3S2
![(Z)-N-(6-Bromo-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C18H19BrN4O4S2, CAS 851717-15-2](/s/HFYQPYVMGFWHCW-UHFFFAOYSA-N.svg)
(Z)-N-(6-Bromo-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-15-2C18H19BrN4O4S2
![(Z)-N-(6-Methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C19H22N4O5S2, CAS 851716-94-4](/s/LATMIKKBHGSQLL-UHFFFAOYSA-N.svg)
(Z)-N-(6-Methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851716-94-4C19H22N4O5S2
![(Z)-N-(3-Allylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C18H18N4O3S2, CAS 851717-36-7](/s/HAWDKBKSRRZIOI-UHFFFAOYSA-N.svg)
(Z)-N-(3-Allylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-36-7C18H18N4O3S2
![(Z)-N-(6-Methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C19H18N4O4S2, CAS 851716-97-7](/s/QPTSNPRSYUNLPL-UHFFFAOYSA-N.svg)
(Z)-N-(6-Methoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851716-97-7C19H18N4O4S2
![(Z)-Methyl 2-(6-methoxy-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)benzo[d]thiazol-3(2H)-yl)acetate chemical structure, C19H20N4O6S2, CAS 851717-02-7](/s/CTWUTHPIMRXYHP-UHFFFAOYSA-N.svg)
(Z)-Methyl 2-(6-methoxy-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
CAS 851717-02-7C19H20N4O6S2
![(Z)-Methyl 3-(2-methoxy-2-oxoethyl)-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate chemical structure, C20H20N4O7S2, CAS 851716-78-4](/s/ZLZGRONSTQOTRF-UHFFFAOYSA-N.svg)
(Z)-Methyl 3-(2-methoxy-2-oxoethyl)-2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
CAS 851716-78-4C20H20N4O7S2
![(Z)-Methyl 2-(2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)benzo[d]thiazol-3(2H)-yl)acetate chemical structure, C18H18N4O5S2, CAS 851717-48-1](/s/ZAZMELLMISRBCK-UHFFFAOYSA-N.svg)
(Z)-Methyl 2-(2-((2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
CAS 851717-48-1C18H18N4O5S2
![(Z)-N-(3-Ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C17H17FN4O3S2, CAS 851717-17-4](/s/XECNEPBYPJGBQM-UHFFFAOYSA-N.svg)
(Z)-N-(3-Ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-17-4C17H17FN4O3S2
![(Z)-N-(3-Methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C16H16N4O3S2, CAS 851717-28-7](/s/COMOEJDMRRHIRA-UHFFFAOYSA-N.svg)
(Z)-N-(3-Methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-28-7C16H16N4O3S2
![(Z)-N-(3-Ethylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C17H18N4O3S2, CAS 851717-34-5](/s/WCPNFPXCEOSLGP-UHFFFAOYSA-N.svg)
(Z)-N-(3-Ethylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851717-34-5C17H18N4O3S2
![(Z)-N-(6-Methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C17H18N4O4S2, CAS 851716-86-4](/s/QZMVLAOVFHEPSY-UHFFFAOYSA-N.svg)
(Z)-N-(6-Methoxy-3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851716-86-4C17H18N4O4S2
![2-[2-[[3-(2-Ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide chemical structure, C20H24N4O5S2, CAS 905695-58-1](/s/SDKFQXBJMBFPAX-UHFFFAOYSA-N.svg)
2-[2-[[3-(2-Ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CAS 905695-58-1C20H24N4O5S2
![(Z)-N-(5-Methylisoxazol-3-yl)-2-((2-oxo-2-((3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)amino)ethyl)thio)acetamide chemical structure, C18H16N4O3S2, CAS 851717-45-8](/s/KJOQELPQGUXWOL-UHFFFAOYSA-N.svg)
(Z)-N-(5-Methylisoxazol-3-yl)-2-((2-oxo-2-((3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)amino)ethyl)thio)acetamide
CAS 851717-45-8C18H16N4O3S2
![(Z)-N-(3-Ethyl-6-methoxybenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide chemical structure, C18H20N4O4S2, CAS 851716-88-6](/s/BFJUWWJZQORJTB-UHFFFAOYSA-N.svg)
(Z)-N-(3-Ethyl-6-methoxybenzo[d]thiazol-2(3H)-ylidene)-2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetamide
CAS 851716-88-6C18H20N4O4S2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCC1CCNC1=O](/scaffold/PKFNNRVTCDIUOS-UHFFFAOYSA-N/structure.svg)
![Scaffold O=C(CSCC(=O)Nc1nccs1)N=c1[nH]c2ccccc2s1](/scaffold/QKWDFCMPWATBHN-UHFFFAOYSA-N/structure.svg)
