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Murcko scaffold

Ring system with 5 rings and 22 atoms

16 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
22
Chemicals
16
With full pages
4
Scaffold SMILES

c1ccc2c(c1)CC1C3CCCCC23CCN1CC1CCC1

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)CC1C3CCCCC23CCN1CC1CCC1

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 16 of 16 chemicals

Morphinan, 14-hydroxy-3-methoxy-17-cyclobutylmethyl- chemical structure, C22H31NO2
Morphinan, 14-hydroxy-3-methoxy-17-cyclobutylmethyl-
C22H31NO2
Butorphanol chemical structure, C21H29NO2, CAS 42408-82-2
Butorphanol
CAS 42408-82-2C21H29NO2
(1S,9R,10S)-17-(Cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol, (2R,3R)-2,3-dihydroxybutanedioic acid chemical structure, C25H35NO8, CAS 157071-29-9
(1S,9R,10S)-17-(Cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol, (2R,3R)-2,3-dihydroxybutanedioic acid
CAS 157071-29-9C25H35NO8
Butorphanol tartrate chemical structure, C25H35NO8, CAS 58786-99-5
Butorphanol tartrate
CAS 58786-99-5C25H35NO8
17-(Cyclobutylmethyl)morphinan-3,10,14-triol chemical structure, C21H29NO3, CAS 182296-54-4
17-(Cyclobutylmethyl)morphinan-3,10,14-triol
CAS 182296-54-4C21H29NO3
Mcl-101 chemical structure, C29H37NO4, CAS 259192-07-9
Mcl-101
CAS 259192-07-9C29H37NO4
Butorphan chemical structure, C21H29NO, CAS 4163-26-2
Butorphan
CAS 4163-26-2C21H29NO
3-Hydroxybutorphanol chemical structure, C21H29NO3, CAS 75195-49-2
3-Hydroxybutorphanol
CAS 75195-49-2C21H29NO3
(-)-3-Methoxy butorphanol chemical structure, C22H31NO2, CAS 63730-48-3
(-)-3-Methoxy butorphanol
CAS 63730-48-3C22H31NO2
17-[(3-Hydroxycyclobutyl)methyl]morphinan-3,14-diol chemical structure, C21H29NO3, CAS 75247-12-0
17-[(3-Hydroxycyclobutyl)methyl]morphinan-3,14-diol
CAS 75247-12-0C21H29NO3
(-)-Butorphanol-d6 chemical structure, C21H29NO2, CAS 1287084-97-2
(-)-Butorphanol-d6
CAS 1287084-97-2C21H29NO2
Hydroxybutorphanol tartrate chemical structure, C46H64N2O12, CAS 102043-41-4
Hydroxybutorphanol tartrate
CAS 102043-41-4C46H64N2O12
Butorphanol N-oxide chemical structure, C21H29NO3, CAS 112269-63-3
Butorphanol N-oxide
CAS 112269-63-3C21H29NO3
(9alpha,13alpha)-17-(Cyclobutylmethyl)-3-methoxymorphinan-14-ol chemical structure, C22H31NO2
(9alpha,13alpha)-17-(Cyclobutylmethyl)-3-methoxymorphinan-14-ol
C22H31NO2
3-O-Methylbutorphanol, (+)- chemical structure, C22H31NO2, CAS 66254-53-3
3-O-Methylbutorphanol, (+)-
CAS 66254-53-3C22H31NO2
3-O-Methylbutorphanol hydrochloride, (-)- chemical structure, C22H32ClNO2, CAS 63730-49-4
3-O-Methylbutorphanol hydrochloride, (-)-
CAS 63730-49-4C22H32ClNO2