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Murcko scaffold

Ring system with 3 rings and 16 atoms

44 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 16
Chemicals: 44
With full pages: 7

Scaffold SMILES

C=C1c2ccccc2CSc2ccccc21

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 C=C1c2ccccc2CSc2ccccc21

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 44 of 44 chemicals

Dothiepin chemical structure, C19H21NS, CAS 113-53-1

CAS 113-53-1C₁₉H₂₁NS

Propanoic acid, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)- chemical structure, C18H16O2S, CAS 112930-60-6

Propanoic acid, 3-(2-methyldibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)-

CAS 112930-60-6C₁₈H₁₆O₂S

Northiaden chemical structure, C18H19NS, CAS 1154-09-2

CAS 1154-09-2C₁₈H₁₉NS

Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)- chemical structure, C17H14O2S, CAS 112930-58-2

Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-

CAS 112930-58-2C₁₇H₁₄O₂S

cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride chemical structure, C19H22ClNS

cis-11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride

C₁₉H₂₂ClNS

Dothiepin, Z- chemical structure, C19H21NS, CAS 25627-38-7

CAS 25627-38-7C₁₉H₂₁NS

Dosulepin chemical structure, C19H21NS, CAS 25627-37-6

CAS 25627-37-6C₁₉H₂₁NS

cis-Dothiepin hydrochloride chemical structure, C19H22ClNS, CAS 25627-39-8

cis-Dothiepin hydrochloride

CAS 25627-39-8C₁₉H₂₂ClNS

Northiadene HCl chemical structure, C18H20ClNS, CAS 844-12-2

Northiadene HCl

CAS 844-12-2C₁₈H₂₀ClNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 9-chloro-N,N-dimethyl-, hydrochloride chemical structure, C19H21Cl2NS, CAS 1159-83-7

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 9-chloro-N,N-dimethyl-, hydrochloride

CAS 1159-83-7C₁₉H₂₁Cl₂NS

Dibenz(b,e)thiepin, 6,11-dihydro-3-chloro-11-(3-(dimethylamino)propylidene)-, succinate chemical structure, C23H26ClNO4S, CAS 1175-60-6

Dibenz(b,e)thiepin, 6,11-dihydro-3-chloro-11-(3-(dimethylamino)propylidene)-, succinate

CAS 1175-60-6C₂₃H₂₆ClNO₄S

Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate chemical structure, C23H26BrNO4S, CAS 1252-56-8

Dibenz(b,e)thiepin, 6,11-dihydro-3-bromo-11-(3-(dimethylamino)propylidene)-, succinate

CAS 1252-56-8C₂₃H₂₆BrNO₄S

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-fluoro-, hydrochloride chemical structure, C19H21ClFNS, CAS 10100-06-8

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-fluoro-, hydrochloride

CAS 10100-06-8C₁₉H₂₁ClFNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, 3,8-difluoro-N,N-dimethyl-, fumarate (1:1) chemical structure, C23H23F2NO4S, CAS 16675-29-9

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, 3,8-difluoro-N,N-dimethyl-, fumarate (1:1)

CAS 16675-29-9C₂₃H₂₃F₂NO₄S

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,2-dimethyl-, hydrochloride, (E)- chemical structure, C19H22ClNS, CAS 21465-97-4

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, N,2-dimethyl-, hydrochloride, (E)-

CAS 21465-97-4C₁₉H₂₂ClNS

Medosulepine chemical structure, C20H23NS, CAS 13448-33-4

CAS 13448-33-4C₂₀H₂₃NS

Medosulepine hydrochloride chemical structure, C20H24ClNS, CAS 23788-30-9

Medosulepine hydrochloride

CAS 23788-30-9C₂₀H₂₄ClNS

trans-Prothiadene hydrochloride chemical structure, C19H22ClNS, CAS 25627-36-5

trans-Prothiadene hydrochloride

CAS 25627-36-5C₁₉H₂₂ClNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride chemical structure, C21H26ClNS, CAS 68263-33-2

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-ethyl-, hydrochloride

CAS 68263-33-2C₂₁H₂₆ClNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-isopropyl-, hydrochloride chemical structure, C22H28ClNS, CAS 68263-34-3

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N-dimethyl-2-isopropyl-, hydrochloride

CAS 68263-34-3C₂₂H₂₈ClNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-butyl-N,N-dimethyl-, hydrochloride chemical structure, C23H30ClNS, CAS 68263-35-4

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2-butyl-N,N-dimethyl-, hydrochloride

CAS 68263-35-4C₂₃H₃₀ClNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N,4-trimethyl-, hydrochloride chemical structure, C20H24ClNS, CAS 68263-37-6

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, N,N,4-trimethyl-, hydrochloride

CAS 68263-37-6C₂₀H₂₄ClNS

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2,9-dichloro-N,N-dimethyl-, hydrochloride chemical structure, C19H20Cl3NS, CAS 68263-38-7

Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)propylamine, 2,9-dichloro-N,N-dimethyl-, hydrochloride

CAS 68263-38-7C₁₉H₂₀Cl₃NS

Dibenzo(b,e)thiepin-2-ol, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, hydrochloride, (E)- chemical structure, C19H22ClNOS, CAS 73150-04-6

Dibenzo(b,e)thiepin-2-ol, 6,11-dihydro-11-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-

CAS 73150-04-6C₁₉H₂₂ClNOS