Murcko scaffold
Ring system with 5 rings and 21 atoms
66 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 21
- Chemicals
- 66
- With full pages
- 9
Scaffold SMILES
C1=CC2CC3c4[nH]c5ccccc5c4CCN3CC2CO1
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 C1=CC2CC3c4[nH]c5ccccc5c4CCN3CC2CO1](/scaffold/IOMWAAMCMVHWQP-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 66 chemicals
Reserpiline
CAS 131-02-2C23H28N2O5
Dimethylaminoethyl reserpilinate dihydrochloride
CAS 3735-84-0C26H37Cl2N3O5
Dimethylaminoethyl reserpilinate
CAS 5585-67-1C26H35N3O5
(-)-Aricine
CAS 5096-87-7C22H26N2O4
Rauniticine
CAS 5299-09-2C21H24N2O3
Raunitidine
CAS 14883-83-1C22H26N2O4
Tetrahydroalstonine
CAS 6474-90-4C21H24N2O3
Reserpiline oxalate
CAS 20686-18-4C25H30N2O9
Isoreserpiline
CAS 572-67-8C23H28N2O5
Tetraphylline
CAS 482-94-0C22H26N2O4
Raubasine hydrochloride
CAS 4373-34-6C21H25ClN2O3
19-Epiajmalicine
CAS 25532-45-0C21H24N2O3
19-Epi-3-isoajmalicine
CAS 25532-46-1C21H24N2O3
Isosarpan
CAS 57063-25-9C40H48N4O7
Rauvanine
CAS 3148-42-3C23H28N2O5
Isoreserpiline, citrate
CAS 6270-51-5C29H36N2O12
Isoreserpinine
CAS 482-95-1C22H26N2O4
Reserpiline, oxalate
CAS 6105-92-6C25H30N2O9
Aricine
CAS 482-91-7C22H26N2O4
Ajmalicine
CAS 483-04-5C21H24N2O3
Cabucine
CAS 16812-97-8C22H26N2O4
Akuammigine
CAS 642-17-1C21H24N2O3
Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, hydrazide, (3-beta,19-alpha,20-alpha)-
CAS 70556-29-5C22H28N4O4
Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, hydrazide, (19-alpha,20-alpha)-
CAS 72407-35-3C20H24N4O2
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, hydrazide, dihydrochloride, (19-alpha,20-alpha)-72407-36-4C20H26Cl2N4O2
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, monohydrochloride, (19-alpha,20-alpha)-72407-37-5C23H29ClN4O4
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (19-alpha,20-alpha)-72428-22-9C23H28N4O4
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-10-methoxy-19-methyl-, hydrazide, (19-alpha)-72407-38-6C21H26N4O3
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, hydrazide, (3-beta,19-alpha,20-alpha)-, phosphate (1:2)72407-39-7C22H34N4O12P2
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (3-beta,19-alpha,20-alpha)-72407-40-0C25H32N4O6
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-11-methoxy-19-methyl-, 2-methylhydrazide, (19-alpha)-72407-41-1C22H28N4O3
- 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid72407-42-2C21H26N4O2
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, hydrazide, (19-alpha)-72442-33-2C20H24N4O2
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (19-alpha)-72442-34-3C23H28N4O4
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-1,19-dimethyl-, hydrazide, (19-alpha)-72442-35-4C21H26N4O2
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-72880-91-2C20H22N2O3
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 2-aminoethanol (1:1)77754-96-2C22H29N3O4
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with N-(2-hydroxyethyl)-N-methylguqnidine (1:1)77754-97-3C24H33N5O4
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-, compd. with 1H-imidazole (1:1)77754-99-5C23H26N4O3
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-79087-63-1C24H31ClN2O3
- Oxayohimban-16-carboxylic acid, 16,17-didehydro-16-((ethylamino)carbonyl)-19-methyl-, methyl ester, (19-alpha)-79120-77-7C24H29N3O4
- N-Ethyl-19-methyl-16,17-didehydro-18-oxayohimban-16-carboximidic acid--hydrogen chloride (1/1)79120-79-9C22H28ClN3O2
- Tetraphylline nitrate4833-83-4C22H27N3O7
- 3-Isoajmalicine483-03-4C21H24N2O3
- Raumitorine549-74-6C22H26N2O4
- Melinonine A6801-41-8C22H27N2O3+
- Reserpilinic acid84824-88-4C22H26N2O5
- Reserpiline hydrochloride63647-55-2C23H29ClN2O5
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3](/scaffold/JUPDIHMJFPDGMY-UHFFFAOYSA-N/structure.svg)
c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC326 chemicals![Scaffold O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc12](/scaffold/BGFQUYBVDVRJSP-UHFFFAOYSA-N/structure.svg)
O=c1c2cnccc2cc2n1CCc1c-2[nH]c2ccccc124 chemicals![Scaffold C1=CC2Cc3c4[nH]c5ccccc5c4cc[n+]3CC2CO1](/scaffold/HTYXBZGNCHYWRS-UHFFFAOYSA-O/structure.svg)
C1=CC2Cc3c4[nH]c5ccccc5c4cc[n+]3CC2CO14 chemicals![Scaffold O=C1c2ccccc2NC2c3[nH]c4ccccc4c3CCN12](/scaffold/PGXSQYLWBYMSFV-UHFFFAOYSA-N/structure.svg)
O=C1c2ccccc2NC2c3[nH]c4ccccc4c3CCN124 chemicals![Scaffold O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12](/scaffold/ACVGWSKVRYFWRP-UHFFFAOYSA-N/structure.svg)
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc123 chemicals
C1=Cc2cc3c(cc2OC1)OCC1c2ccccc2OC313 chemicals
O=c1oc2cc3c(cc2c2oc4ccccc4c12)CCCO32 chemicals
C1=CC2Cc3c4nc5ccccc5c-4ccn3CC2CO12 chemicals
O=c1cc2oc3ccccc3cc2c2nc3ccccc3n122 chemicals
c1ccc2c3ccn4cc5c(cc4c-3nc2c1)CCCC52 chemicals![Scaffold c1ccc2c(c1)[nH]c1c2cc[n+]2cc3c(cc12)CCCC3](/scaffold/UQVUEULZDJRMJR-UHFFFAOYSA-O/structure.svg)
c1ccc2c(c1)[nH]c1c2cc[n+]2cc3c(cc12)CCCC32 chemicals
N=c1cc2oc3ccccc3cc2c2nc3ccccc3n121 chemical