Murcko scaffold
Ring system with 4 rings and 27 atoms
34 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 27
- Chemicals
- 34
- With full pages
- 8
Scaffold SMILES
c1ccc(C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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.
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 34 of 34 chemicals
Loperamide
CAS 53179-11-6C29H33ClN2O2
Diphenoxylate
CAS 915-30-0C30H32N2O2
Difenoxin
CAS 28782-42-5C28H28N2O2
Atropine sulfate, diphenoxylate hydrochloride
CAS 55840-97-6C47H58ClN3O9S
Loperamide hydrochloride
CAS 34552-83-5C29H34Cl2N2O2
Loperamide oxide
CAS 106900-12-3C29H33ClN2O3
Fluperamide
CAS 53179-10-5C30H32ClF3N2O2
DEA No. 9168
CAS 79568-96-0C62H76N4O12S
Butoxylate
CAS 15302-05-3C32H36N2O2
Fluperamide hydrochloride
CAS 34552-82-4C30H33Cl2F3N2O2
Piperidine, 1-(3,3-diphenylpropyl)-4-phenyl-, hydrochloride
CAS 37088-47-4C26H30ClN
Loperamide hydrochloride specified impurity D
CAS 37743-41-2C29H34N2O2
Diphenoxylate hydrochloride
CAS 3810-80-8C30H33ClN2O2
Desmethylloperamide hydrochloride
CAS 37743-37-6C28H32Cl2N2O2
N-Desmethyl loperamide
CAS 66164-07-6C28H31ClN2O2
4-(4-Chlorophenyl)-4-hydroxy-alpha,alpha-diphenyl-1-piperidinebutanenitrile
CAS 63959-33-1C27H27ClN2O
N-Didesmethyl loperamide
CAS 66164-06-5C27H29ClN2O2
Desmethylloperamide C-11
CAS 1067642-12-9C28H31ClN2O2
![4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-butyric acid chemical structure, C27H28ClNO3, CAS 82103-70-6](/s/RQAOZORDGPLHFC-UHFFFAOYSA-N.svg)
4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-butyric acid
CAS 82103-70-6C27H28ClNO3
4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CAS 82103-72-8C26H28ClNO
Loperamide-d6 hydrochloride
CAS 1189469-46-2C29H34Cl2N2O2
Loperamide-d6
CAS 1189574-93-3C29H33ClN2O2
N-Desmethyl loperamide-d3
CAS 1189488-17-2C28H31ClN2O2
Difenoxin hydrochloride
CAS 35607-36-4C28H29ClN2O2
- N,N-Dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide2176490-05-2C29H34N2O
- 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, methyl ester103166-95-6C29H30N2O2
- Loperamide oxide monohydrate, cis-1415978-86-7C29H35ClN2O4
- Loperamide-d6 N-oxide1329835-39-3C29H33ClN2O3
- Diphenoxylate-d4 hydrochloride1329494-82-7C30H33ClN2O2
- Atropine sulfate, difenoxin hydrochloride1382038-35-8C62H77ClN4O12S
- Diphenoxylate N-oxide534583-19-2C30H32N2O3
- Diphenoxylate-D4C30H32N2O2
- 1,2,2,2-Tetradeuterioethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate, hydrochloride61157-91-3C30H33ClN2O2
- Loperamide oxide hydrate181112-35-6C116H150Cl4N8O21
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(Nc1ccc(N2CCNCC2)cc1)C(c1ccccc1)c1ccccc12 chemicals
c1ccc(C(CCN2CCN(c3ccccc3)CC2)c2ccccc2)cc12 chemicals
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccccc2)CC12 chemicals
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(c2ccccn2)CC11 chemical
c1ccc(C(CCN2CCC(N3CCCCC3)CC2)c2ccccc2)cc11 chemical![Scaffold O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-c2cccnn2)[nH]c1=O](/scaffold/HSPPHMHXWTWUAX-UHFFFAOYSA-N/structure.svg)
O=C(NC(c1ccccc1)c1ccccc1)c1cnc(-c2cccnn2)[nH]c1=O1 chemical
C1=C(c2ccccc2)CCN(CCC(c2ccccc2)c2ccccc2)C11 chemical
O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc11 chemical