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Murcko scaffold

Ring system with 4 rings and 18 atoms

91 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
91
With full pages
10
Scaffold SMILES

N=C1C=C2CCC3C4CCCC4CCC3C2CC1

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 N=C1C=C2CCC3C4CCCC4CCC3C2CC1

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 91 chemicals

2-[(17-Hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid chemical structure, C22H33NO4, CAS 210411-48-6
2-[(17-Hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
CAS 210411-48-6C22H33NO4
(1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate chemical structure, C23H31NO3, CAS 20799-27-3
(1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate
CAS 20799-27-3C23H31NO3
Norelgestromin chemical structure, C21H29NO2, CAS 53016-31-2
Norelgestromin
CAS 53016-31-2C21H29NO2
Norethisterone oxime chemical structure, C20H27NO2
Norethisterone oxime
C20H27NO2
Testosterone oxime chemical structure, C19H29NO2, CAS 6911-95-1
Testosterone oxime
CAS 6911-95-1C19H29NO2
19-Norpregn-4-en-20-yn-3-one, 17-((trimethylsilyl)oxy)-, oxime, (17-alpha)- chemical structure, C23H35NO2Si, CAS 82332-10-3
19-Norpregn-4-en-20-yn-3-one, 17-((trimethylsilyl)oxy)-, oxime, (17-alpha)-
CAS 82332-10-3C23H35NO2Si
[[10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]urea chemical structure, C28H47N3O
[[10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]urea
C28H47N3O
2-[(17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid chemical structure, C23H33NO4
2-[(17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
C23H33NO4
17|A-Hydroxyprogesterone 3-(o-carboxymethyl)oxime chemical structure, C23H33NO5, CAS 53260-10-9
17|A-Hydroxyprogesterone 3-(o-carboxymethyl)oxime
CAS 53260-10-9C23H33NO5
Norgestimate, Z- chemical structure, C23H31NO3, CAS 107382-51-4
Norgestimate, Z-
CAS 107382-51-4C23H31NO3
Norethisterone oxime, (Z)- chemical structure, C20H27NO2, CAS 714964-41-7
Norethisterone oxime, (Z)-
CAS 714964-41-7C20H27NO2
Testosterone oxime, (E)- chemical structure, C19H29NO2, CAS 14958-66-8
Testosterone oxime, (E)-
CAS 14958-66-8C19H29NO2
[(3E)-3-(Carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate chemical structure, C22H33N3O2S, CAS 68888-68-6
[(3E)-3-(Carbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS 68888-68-6C22H33N3O2S
(3E)-3-(Dimethylhydrazinylidene)-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol chemical structure, C22H36N2O, CAS 3965-34-2
(3E)-3-(Dimethylhydrazinylidene)-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS 3965-34-2C22H36N2O
(3E)-3-(Hydroxyimino)androst-4-en-17-yl acetate chemical structure, C21H31NO3, CAS 59285-18-6
(3E)-3-(Hydroxyimino)androst-4-en-17-yl acetate
CAS 59285-18-6C21H31NO3
[(E)-[10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]urea chemical structure, C28H47N3O, CAS 20817-69-0
[(E)-[10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]urea
CAS 20817-69-0C28H47N3O
[(3E)-3-(Butylcarbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate chemical structure, C26H41N3O2S, CAS 68862-47-5
[(3E)-3-(Butylcarbamothioylhydrazinylidene)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS 68862-47-5C26H41N3O2S
[(3E)-3-(Butylcarbamothioylhydrazinylidene)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate chemical structure, C26H41N3O2S, CAS 68862-51-1
[(3E)-3-(Butylcarbamothioylhydrazinylidene)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
CAS 68862-51-1C26H41N3O2S
Norelgestromin, (Z)- chemical structure, C21H29NO2, CAS 74183-54-3
Norelgestromin, (Z)-
CAS 74183-54-3C21H29NO2
Norgestimate chemical structure, C23H31NO3, CAS 35189-28-7
Norgestimate
CAS 35189-28-7C23H31NO3
Testosterone 3-(O-dimethylaminopropyl)oxime chemical structure, C24H40N2O2, CAS 66818-35-7
Testosterone 3-(O-dimethylaminopropyl)oxime
CAS 66818-35-7C24H40N2O2
(NE)-N-[(2S)-2-[(3E,8S,9S,10R,13S,14S,17R)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propylidene]hydroxylamine chemical structure, C22H34N2O2
(NE)-N-[(2S)-2-[(3E,8S,9S,10R,13S,14S,17R)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propylidene]hydroxylamine
C22H34N2O2
Norelgestromin (USAN:INN:BAN) chemical structure, C21H29NO2, CAS 74183-55-4
Norelgestromin (USAN:INN:BAN)
CAS 74183-55-4C21H29NO2
Norgestimate and Ethinyl Estradiol chemical structure, C43H55NO5, CAS 79871-54-8
Norgestimate and Ethinyl Estradiol
CAS 79871-54-8C43H55NO5