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Murcko scaffold

Ring system with 8 rings and 29 atoms

26 chemicals on CompoundList share this ring system.

Rings: 8
Scaffold atoms: 29
Chemicals: 26
With full pages: 11

Scaffold SMILES

O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1

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=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1

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 26 of 26 chemicals

K-252a, SF 2370 chemical structure, C27H21N3O5, CAS 97161-97-2

K-252a, SF 2370

CAS 97161-97-2C₂₇H₂₁N₃O₅

Orb1707149 chemical structure, C26H19N3O5

C₂₆H₁₉N₃O₅

Kt 5823 chemical structure, C29H25N3O5, CAS 126643-37-6

CAS 126643-37-6C₂₉H₂₅N₃O₅

Lestaurtinib chemical structure, C26H21N3O4, CAS 111358-88-4

CAS 111358-88-4C₂₆H₂₁N₃O₄

NA 0344 chemical structure, C28H26N4O3, CAS 120925-59-9

CAS 120925-59-9C₂₈H₂₆N₄O₃

NA 0345 chemical structure, C27H24N4O3, CAS 120925-60-2

CAS 120925-60-2C₂₇H₂₄N₄O₃

NA 0359 chemical structure, C29H28N4O3, CAS 134931-91-2

CAS 134931-91-2C₂₉H₂₈N₄O₃

NA 0362 chemical structure, C28H26N4O4, CAS 134886-07-0

CAS 134886-07-0C₂₈H₂₆N₄O₄

KT 6006 chemical structure, C27H21N3O7, CAS 118736-03-1

CAS 118736-03-1C₂₇H₂₁N₃O₇

KT 5720 chemical structure, C32H31N3O5, CAS 108068-98-0

CAS 108068-98-0C₃₂H₃₁N₃O₅

Antibiotic K 252a chemical structure, C27H21N3O5, CAS 99533-80-9

Antibiotic K 252a

CAS 99533-80-9C₂₇H₂₁N₃O₅

KT-8391 Free base chemical structure, C36H40N6O6, CAS 706754-99-6

KT-8391 Free base

CAS 706754-99-6C₃₆H₄₀N₆O₆

Cep-751 chemical structure, C27H23N3O4, CAS 156177-59-2

CAS 156177-59-2C₂₇H₂₃N₃O₄

(5S,6S)-Methyl 6-hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate chemical structure, C27H21N3O5, CAS 171333-67-8

(5S,6S)-Methyl 6-hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylate

CAS 171333-67-8C₂₇H₂₁N₃O₅

3,9-Bis((ethylthio)methyl)-K-252a chemical structure, C33H33N3O5S2, CAS 156177-65-0

3,9-Bis((ethylthio)methyl)-K-252a

CAS 156177-65-0C₃₃H₃₃N₃O₅S₂

KT 5822 chemical structure, C28H23N3O5, CAS 108043-96-5

CAS 108043-96-5C₂₈H₂₃N₃O₅

RefChem:924027 chemical structure, C26H19N3O5, CAS 99570-78-2

CAS 99570-78-2C₂₆H₁₉N₃O₅

(9R,10S,12S)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid chemical structure, C26H19N3O5

(9R,10S,12S)-2,3,9,10,11,12-Hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid

C₂₆H₁₉N₃O₅

NA 0346 chemical structure, C26H22N4O3, CAS 120925-61-3

CAS 120925-61-3C₂₆H₂₂N₄O₃

KT 5926 chemical structure, C30H27N3O6, CAS 126643-38-7

CAS 126643-38-7C₃₀H₂₇N₃O₆

TTT 3002 chemical structure, C27H23N5O3, CAS 871037-95-5

CAS 871037-95-5C₂₇H₂₃N₅O₃

9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylicacid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, (9S,10R,12R)- chemical structure, C26H19N3O5

9,12-Epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylicacid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-, (9S,10R,12R)-

C₂₆H₁₉N₃O₅

rel-K252a chemical structure, C26H19N3O5, CAS 172201-10-4

CAS 172201-10-4C₂₆H₁₉N₃O₅

(15R,16S)-16-Hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid chemical structure, C26H19N3O5

(15R,16S)-16-Hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid

C₂₆H₁₉N₃O₅