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Murcko scaffold

Ring system with 4 rings and 17 atoms

1,695 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
17
Chemicals
1,695
With full pages
315
Scaffold SMILES

C1CCC2C(C1)CCC1C3CCCC3CCC21

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.

Substructure search with this scaffold
Murcko scaffold C1CCC2C(C1)CCC1C3CCCC3CCC21

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 1,695 chemicals

Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)- chemical structure, C24H40O4, CAS 30635-00-8
Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-
CAS 30635-00-8C24H40O4
4-{4,7-Dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid chemical structure, C24H40O4, CAS 347841-46-7
4-{4,7-Dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
CAS 347841-46-7C24H40O4
Tetrahydrocortisol chemical structure, C21H34O5, CAS 53-02-1
Tetrahydrocortisol
CAS 53-02-1C21H34O5
Dihydrocholesterol chemical structure, C27H48O, CAS 80-97-7
Dihydrocholesterol
CAS 80-97-7C27H48O
Taurocholic acid chemical structure, C26H45NO7S, CAS 81-24-3
Taurocholic acid
CAS 81-24-3C26H45NO7S
Lithocholic acid chemical structure, C24H40O3, CAS 434-13-9
Lithocholic acid
CAS 434-13-9C24H40O3
Chenodeoxycholic acid chemical structure, C24H40O4, CAS 474-25-9
Chenodeoxycholic acid
CAS 474-25-9C24H40O4
Glycocholic acid chemical structure, C26H43NO6, CAS 475-31-0
Glycocholic acid
CAS 475-31-0C26H43NO6
5alpha-PREGNAN-3beta, 11beta, 21-TRIOL-20-one chemical structure, C21H34O4
5alpha-PREGNAN-3beta, 11beta, 21-TRIOL-20-one
C21H34O4
Glycochenodeoxycholic acid chemical structure, C26H43NO5, CAS 640-79-9
Glycochenodeoxycholic acid
CAS 640-79-9C26H43NO5
17-Ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene chemical structure, C21H36, CAS 26856-62-2
17-Ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CAS 26856-62-2C21H36
5 alpha-Androstane-3 alpha,17 beta-diol chemical structure, C19H32O2, CAS 1852-53-5
5 alpha-Androstane-3 alpha,17 beta-diol
CAS 1852-53-5C19H32O2
Epipachysamine A chemical structure, C26H46N2O, CAS 2309-42-4
Epipachysamine A
CAS 2309-42-4C26H46N2O
2-[4-(3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid chemical structure, C26H45NO6S, CAS 1808218-24-7
2-[4-(3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
CAS 1808218-24-7C26H45NO6S
2-[4-(3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid chemical structure, C26H43NO5
2-[4-(3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid
C26H43NO5
Ursodeoxycholic acid chemical structure, C24H40O4, CAS 128-13-2
Ursodeoxycholic acid
CAS 128-13-2C24H40O4
Pregnanolone chemical structure, C21H34O2, CAS 128-20-1
Pregnanolone
CAS 128-20-1C21H34O2
Androstane-3,17-diol chemical structure, C19H32O2, CAS 25126-76-5
Androstane-3,17-diol
CAS 25126-76-5C19H32O2
6-Methylcholestan-3-ol chemical structure, C28H50O
6-Methylcholestan-3-ol
C28H50O
18,19-Dinorcholestane, 5,14-dimethyl-, (5beta,8alpha,9beta,10alpha,14beta)- chemical structure, C27H48, CAS 57030-15-6
18,19-Dinorcholestane, 5,14-dimethyl-, (5beta,8alpha,9beta,10alpha,14beta)-
CAS 57030-15-6C27H48
18,19-Dinorstigmastane, 5,14-dimethyl-, (5beta,8alpha,9beta,10alpha,14beta,24xi)- chemical structure, C29H52, CAS 67597-35-7
18,19-Dinorstigmastane, 5,14-dimethyl-, (5beta,8alpha,9beta,10alpha,14beta,24xi)-
CAS 67597-35-7C29H52
Tetrahydrocorticosterone chemical structure, C21H34O4, CAS 68-42-8
Tetrahydrocorticosterone
CAS 68-42-8C21H34O4
Tetrahydro-11-deoxycortisol chemical structure, C21H34O4, CAS 68-60-0
Tetrahydro-11-deoxycortisol
CAS 68-60-0C21H34O4
Epidihydrocholesterin chemical structure, C27H48O, CAS 516-95-0
Epidihydrocholesterin
CAS 516-95-0C27H48O