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Murcko scaffold

Fasudil scaffold

36 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 20
Chemicals: 36
With full pages: 11

Scaffold SMILES

O=S(=O)(c1cccc2cnccc12)N1CCCNCC1

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 Open the Fasudil page

Murcko scaffold O=S(=O)(c1cccc2cnccc12)N1CCCNCC1

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 36 of 36 chemicals

Fasudil chemical structure, C14H17N3O2S, CAS 103745-39-7

CAS 103745-39-7C₁₄H₁₇N₃O₂S

Fasudil hydrochloride chemical structure, C14H18ClN3O2S, CAS 105628-07-7

Fasudil hydrochloride

CAS 105628-07-7C₁₄H₁₈ClN₃O₂S

RefChem:407947 chemical structure, C16H21N3O2S, CAS 451462-58-1

CAS 451462-58-1C₁₆H₂₁N₃O₂S

1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl- chemical structure, C15H19N3O2S, CAS 105627-90-5

1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-3-methyl-

CAS 105627-90-5C₁₅H₁₉N₃O₂S

(S)-(-)-4-((4-Fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepan-1-ium chloride chemical structure, C15H19ClFN3O2S, CAS 223644-02-8

(S)-(-)-4-((4-Fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepan-1-ium chloride

CAS 223644-02-8C₁₅H₁₉ClFN₃O₂S

Ripasudil chemical structure, C15H18FN3O2S, CAS 223645-67-8

CAS 223645-67-8C₁₅H₁₈FN₃O₂S

(S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolynyl)sulfonyl]homopiperazine chemical structure, C16H21N3O2S, CAS 217968-10-0

(S)-(+)-2-Methyl-1-[(4-methyl-5-isoquinolynyl)sulfonyl]homopiperazine

CAS 217968-10-0C₁₆H₂₁N₃O₂S

4-Fluoro-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline chemical structure, C15H18FN3O2S, CAS 217971-63-6

4-Fluoro-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline

CAS 217971-63-6C₁₅H₁₈FN₃O₂S

Hmn-1180 chemical structure, C15H19N3O2S, CAS 221134-00-5

CAS 221134-00-5C₁₅H₁₉N₃O₂S

1H-1,4-Diazepine, 1-[(1-ethoxy-5-isoquinolinyl)sulfonyl]hexahydro- chemical structure, C16H21N3O3S, CAS 802902-43-8

1H-1,4-Diazepine, 1-[(1-ethoxy-5-isoquinolinyl)sulfonyl]hexahydro-

CAS 802902-43-8C₁₆H₂₁N₃O₃S

H-1152 Dihydrochloride chemical structure, C16H23Cl2N3O2S, CAS 871543-07-6

H-1152 Dihydrochloride

CAS 871543-07-6C₁₆H₂₃Cl₂N₃O₂S

Ripasudil hydrochloride chemical structure, C15H23ClFN3O4S, CAS 887375-67-9

Ripasudil hydrochloride

CAS 887375-67-9C₁₅H₂₃ClFN₃O₄S

(S)-4-Bromo-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline chemical structure, C15H18BrN3O2S, CAS 913684-73-8

(S)-4-Bromo-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline

CAS 913684-73-8C₁₅H₁₈BrN₃O₂S

Glycyl-H 1152 chemical structure, C18H24N4O3S

C₁₈H₂₄N₄O₃S

h-0104 Dihydrochloride chemical structure, C15H20BrCl2N3O2S, CAS 913636-88-1

h-0104 Dihydrochloride

CAS 913636-88-1C₁₅H₂₀BrCl₂N₃O₂S

(R)-4-Methyl-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline chemical structure, C16H21N3O2S, CAS 194032-46-7

(R)-4-Methyl-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline

CAS 194032-46-7C₁₆H₂₁N₃O₂S

HA 1077 dihydrochloride chemical structure, C14H19Cl2N3O2S, CAS 203911-27-7

HA 1077 dihydrochloride

CAS 203911-27-7C₁₄H₁₉Cl₂N₃O₂S

4-Fluoro-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline hydrochloride chemical structure, C15H19ClFN3O2S, CAS 223644-16-4

4-Fluoro-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline hydrochloride

CAS 223644-16-4C₁₅H₁₉ClFN₃O₂S

1,1-Dimethylethyl 4-[(4-bromo-5-isoquinolinyl)sulfonyl]hexahydro-1H-1,4-diazepine-1-carboxylate chemical structure, C19H24BrN3O4S, CAS 194032-24-1

1,1-Dimethylethyl 4-[(4-bromo-5-isoquinolinyl)sulfonyl]hexahydro-1H-1,4-diazepine-1-carboxylate

CAS 194032-24-1C₁₉H₂₄BrN₃O₄S

1-(1-Chloro-5-isoquinolinesulfonyl)homopiperazine chemical structure, C14H16ClN3O2S, CAS 105628-70-4

1-(1-Chloro-5-isoquinolinesulfonyl)homopiperazine

CAS 105628-70-4C₁₄H₁₆ClN₃O₂S

5-((4-Ethyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline chemical structure, C16H21N3O2S, CAS 105628-04-4

5-((4-Ethyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline

CAS 105628-04-4C₁₆H₂₁N₃O₂S

Fasudil hydrochloride hydrate chemical structure, C28H38Cl2N6O5S2, CAS 186694-02-0

Fasudil hydrochloride hydrate

CAS 186694-02-0C₂₈H₃₈Cl₂N₆O₅S₂

(S)-4-Fluoro-5-(2-methyl-[1,4]diazepane-1-sulfonyl)isoquinoline 2HCl chemical structure, C15H20Cl2FN3O2S, CAS 934400-38-1

(S)-4-Fluoro-5-(2-methyl-[1,4]diazepane-1-sulfonyl)isoquinoline 2HCl

CAS 934400-38-1C₁₅H₂₀Cl₂FN₃O₂S

Fasudil mesylate chemical structure, C15H21N3O5S2, CAS 1001206-62-7

Fasudil mesylate

CAS 1001206-62-7C₁₅H₂₁N₃O₅S₂