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Murcko scaffold

Ring system with 3 rings and 19 atoms

11 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 19
Chemicals: 11
With full pages: 3

Scaffold SMILES

O=S1(=O)CCNC(c2ccccc2)c2ccccc21

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 O=S1(=O)CCNC(c2ccccc2)c2ccccc21

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 11 of 11 chemicals

(-)-(3R,5R)-trans-3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-1,4-benzothiazepine, 1,1-dioxide chemical structure, C23H31NO4S, CAS 178259-25-1

(-)-(3R,5R)-trans-3-Butyl-3-ethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-5-phenyl-1,4-benzothiazepine, 1,1-dioxide

CAS 178259-25-1C₂₃H₃₁NO₄S

RefChem:89673 chemical structure, C21H27NO2S, CAS 152802-07-8

CAS 152802-07-8C₂₁H₂₇NO₂S

(3R,5R)-3-Butyl-3-ethyl-8-hydroxy-7-methoxy-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide chemical structure, C22H29NO4S, CAS 178259-31-9

(3R,5R)-3-Butyl-3-ethyl-8-hydroxy-7-methoxy-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide

CAS 178259-31-9C₂₂H₂₉NO₄S

Linerixibat chemical structure, C28H38N2O7S, CAS 1345982-69-5

CAS 1345982-69-5C₂₈H₃₈N₂O₇S

3-({[(3R,5S)-3-Butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid chemical structure, C28H38N2O7S, CAS 1345982-99-1

3-({[(3R,5S)-3-Butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid

CAS 1345982-99-1C₂₈H₃₈N₂O₇S

{[(3R,5R)-3-Butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amine chemical structure, C23H32N2O3S, CAS 1345983-52-9

{[(3R,5R)-3-Butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amine

CAS 1345983-52-9C₂₃H₃₂N₂O₃S

1,4-Benzothiazepine-8-carbonitrile, 3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-5-phenyl-, 1,1-dioxide, (3R,5R)- chemical structure, C23H28N2O3S, CAS 1345983-43-8

1,4-Benzothiazepine-8-carbonitrile, 3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-5-phenyl-, 1,1-dioxide, (3R,5R)-

CAS 1345983-43-8C₂₃H₂₈N₂O₃S

Dimethyl 3-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioate chemical structure, C30H42N2O7S, CAS 1345983-90-5

Dimethyl 3-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)pentanedioate

CAS 1345983-90-5C₃₀H₄₂N₂O₇S

L-Aspartic acid, N-[[(3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl]methyl]- chemical structure, C27H36N2O7S, CAS 1345982-70-8

L-Aspartic acid, N-[[(3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl]methyl]-

CAS 1345982-70-8C₂₇H₃₆N₂O₇S

(3R,5R)-3-Butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl trifluoromethanesulfonate chemical structure, C23H28F3NO6S2, CAS 1345983-39-2

(3R,5R)-3-Butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl trifluoromethanesulfonate

CAS 1345983-39-2C₂₃H₂₈F₃NO₆S₂

(3R,5R)-3-Butyl-3-ethyl-7-methoxy-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine-8-carbaldehyde 1,1-dioxide chemical structure, C23H29NO4S, CAS 1345983-46-1

(3R,5R)-3-Butyl-3-ethyl-7-methoxy-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine-8-carbaldehyde 1,1-dioxide

CAS 1345983-46-1C₂₃H₂₉NO₄S