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Murcko scaffold

Ring system with 4 rings and 21 atoms

276 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 21
Chemicals: 276
With full pages: 10

Scaffold SMILES

c1ccc2c(c1)CC(N1CCNCC1)c1ccccc1S2

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)CC(N1CCNCC1)c1ccccc1S2

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 276 chemicals

Octoclothepine chemical structure, C19H21ClN2S, CAS 13448-22-1

CAS 13448-22-1C₁₉H₂₁ClN₂S

Methiothepin chemical structure, C20H24N2S2, CAS 20229-30-5

CAS 20229-30-5C₂₀H₂₄N₂S₂

Dibenzo(b,f)thiepin-8-sulfonamide, 10,11-dihydro-N,N-dimethyl-10-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:1:1) chemical structure, C22H31N3O5S3, CAS 39841-98-0

Dibenzo(b,f)thiepin-8-sulfonamide, 10,11-dihydro-N,N-dimethyl-10-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:1:1)

CAS 39841-98-0C₂₂H₃₁N₃O₅S₃

Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, dihydrochloride chemical structure, C19H24Cl2N2OS, CAS 43183-08-0

Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, dihydrochloride

CAS 43183-08-0C₁₉H₂₄Cl₂N₂OS

Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate chemical structure, C22H33N3O8S4, CAS 51723-68-3

Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(1-piperazinyl)-, dimethanesulfonate

CAS 51723-68-3C₂₂H₃₃N₃O₈S₄

Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(4-(3-hydroxypropyl)-1-piperazinyl)-, methanesulfonate, hydrate (2:4:1) chemical structure, C25H39N3O9S4, CAS 51723-70-7

Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(4-(3-hydroxypropyl)-1-piperazinyl)-, methanesulfonate, hydrate (2:4:1)

CAS 51723-70-7C₂₅H₃₉N₃O₉S₄

Carbamic acid, (10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, ethyl ester, dimethanesulfonate chemical structure, C24H35N3O8S3, CAS 51724-29-9

Carbamic acid, (10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, ethyl ester, dimethanesulfonate

CAS 51724-29-9C₂₄H₃₅N₃O₈S₃

Dibenzo(b,f)thiepin-2-carboxamide, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:2:2) chemical structure, C22H31N3O7S3, CAS 55301-84-3

Dibenzo(b,f)thiepin-2-carboxamide, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:2:2)

CAS 55301-84-3C₂₂H₃₁N₃O₇S₃

Dibenzo(b,f)thiepin-3-ol, 10,11-dihydro-8-chloro-10-(4-methyl-1-piperazinyl)-, monomethanesulfonate, hydrate chemical structure, C20H25ClN2O4S2, CAS 56096-72-1

Dibenzo(b,f)thiepin-3-ol, 10,11-dihydro-8-chloro-10-(4-methyl-1-piperazinyl)-, monomethanesulfonate, hydrate

CAS 56096-72-1C₂₀H₂₅ClN₂O₄S₂

Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate chemical structure, C22H35N3O9S4, CAS 58721-95-2

Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate

CAS 58721-95-2C₂₂H₃₅N₃O₉S₄

Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, hydrobromide, hydrate (1:2:2) chemical structure, C19H24Br2N2O2S, CAS 60969-84-8

Dibenzo(b,f)thiepin-2,3-diol, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, hydrobromide, hydrate (1:2:2)

CAS 60969-84-8C₁₉H₂₄Br₂N₂O₂S

Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-8-chloro-11-(4-methyl-1-piperazinyl)-, dihydrochloride chemical structure, C19H23Cl3N2OS, CAS 63186-51-6

Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-8-chloro-11-(4-methyl-1-piperazinyl)-, dihydrochloride

CAS 63186-51-6C₁₉H₂₃Cl₃N₂OS

Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-7-fluoro-11-(4-(2-hydroxyethyl)-1-piperazinyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1) chemical structure, C22H30Cl2FN3O3S2, CAS 85195-85-3

Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-7-fluoro-11-(4-(2-hydroxyethyl)-1-piperazinyl)-N,N-dimethyl-, hydrochloride, hydrate (1:2:1)

CAS 85195-85-3C₂₂H₃₀Cl₂FN₃O₃S₂

Piperazine, 1-(10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl- chemical structure, C19H21FN2S, CAS 73129-34-7

Piperazine, 1-(10,11-dihydro-6-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-

CAS 73129-34-7C₁₉H₂₁FN₂S

Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl- chemical structure, C20H24N2O2S2, CAS 16185-12-9

Piperazine, 1-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-4-methyl-

CAS 16185-12-9C₂₀H₂₄N₂O₂S₂

Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester chemical structure, C32H46N2O2S2, CAS 41931-86-6

Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester

CAS 41931-86-6C₃₂H₄₆N₂O₂S₂

1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine chemical structure, C19H22N2S, CAS 1526-83-6

1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine

CAS 1526-83-6C₁₉H₂₂N₂S

4-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol chemical structure, C23H29FN2OS, CAS 70931-18-9

4-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol

CAS 70931-18-9C₂₃H₂₉FN₂OS

Cloflumide chemical structure, C22H27ClFN3O4S2, CAS 104821-37-6

CAS 104821-37-6C₂₂H₂₇ClFN₃O₄S₂

1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate (1:1) chemical structure, C23H32N2O4S3, CAS 34775-83-2

1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, methanesulfonate (1:1)

CAS 34775-83-2C₂₃H₃₂N₂O₄S₃

Oxyprothepine chemical structure, C22H28N2OS2, CAS 29604-16-8

CAS 29604-16-8C₂₂H₂₈N₂OS₂

4-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol monomethanesulfonate (salt) chemical structure, C24H33FN2O4S2, CAS 103432-84-4

4-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol monomethanesulfonate (salt)

CAS 103432-84-4C₂₄H₃₃FN₂O₄S₂

Docloxythepin succinate chemical structure, C24H29ClN2O5S, CAS 60003-04-5

Docloxythepin succinate

CAS 60003-04-5C₂₄H₂₉ClN₂O₅S

4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol chemical structure, C20H23ClN2OS, CAS 56934-18-0

4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol

CAS 56934-18-0C₂₀H₂₃ClN₂OS