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Murcko scaffold

Ring system with 3 rings and 27 atoms

12 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 27
Chemicals: 12
With full pages: 4

Scaffold SMILES

O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCc1ccccc1

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=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCc1ccccc1

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 12 of 12 chemicals

BIBO-3304 chemical structure, C31H36F3N7O5, CAS 191868-14-1

CAS 191868-14-1C₃₁H₃₆F₃N₇O₅

Bibo3304 chemical structure, C29H35N7O3, CAS 191868-13-0

CAS 191868-13-0C₂₉H₃₅N₇O₃

Bibp 3226 chemical structure, C27H31N5O3, CAS 159013-54-4

CAS 159013-54-4C₂₇H₃₁N₅O₃

Y1 receptor antagonist 1 chemical structure, C28H33N5O3, CAS 221697-09-2

Y1 receptor antagonist 1

CAS 221697-09-2C₂₈H₃₃N₅O₃

Bibp-3435 chemical structure, C27H31N5O3, CAS 170969-75-2

CAS 170969-75-2C₂₇H₃₁N₅O₃

2-(2,2-Diphenylacetamido)-5-guanidino-N-(4-hydroxybenzyl)pentanamide chemical structure, C27H31N5O3, CAS 1229731-58-1

2-(2,2-Diphenylacetamido)-5-guanidino-N-(4-hydroxybenzyl)pentanamide

CAS 1229731-58-1C₂₇H₃₁N₅O₃

Bibp 3226 trifluoroacetate chemical structure, C29H32F3N5O5, CAS 1068148-47-9

Bibp 3226 trifluoroacetate

CAS 1068148-47-9C₂₉H₃₂F₃N₅O₅

Benzeneacetamide, N-[1-[[[[4-[(aminosulfonyl)methyl]phenyl]methyl]amino]carbonyl]-4-[[imino(nitroamino)methyl]amino]butyl]-I+/--phenyl-, (R)- chemical structure, C28H33N7O6S, CAS 191868-56-1

Benzeneacetamide, N-[1-[[[[4-[(aminosulfonyl)methyl]phenyl]methyl]amino]carbonyl]-4-[[imino(nitroamino)methyl]amino]butyl]-I+/--phenyl-, (R)-

CAS 191868-56-1C₂₈H₃₃N₇O₆S

Benzeneacetamide, N-[(1R)-17-amino-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-6-imino-8-oxo-12,15-dioxa-5,7,9-triazaheptadec-1-yl]-I+/--phenyl- chemical structure, C36H49N9O6, CAS 1471342-45-6

Benzeneacetamide, N-[(1R)-17-amino-1-[[[[4-[[(aminocarbonyl)amino]methyl]phenyl]methyl]amino]carbonyl]-6-imino-8-oxo-12,15-dioxa-5,7,9-triazaheptadec-1-yl]-I+/--phenyl-

CAS 1471342-45-6C₃₆H₄₉N₉O₆

Bibo-3304 tfa chemical structure, C33H37F6N7O7, CAS 2310085-85-7

CAS 2310085-85-7C₃₃H₃₇F₆N₇O₇

(2R)-5-[[Amino-[4-(propanoylamino)butylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide chemical structure, C35H45N7O5, CAS 1333984-33-0

(2R)-5-[[Amino-[4-(propanoylamino)butylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide

CAS 1333984-33-0C₃₅H₄₅N₇O₅

Ar-H040922 monohydrochloride chemical structure, C28H34ClN5O3, CAS 221666-59-7

Ar-H040922 monohydrochloride

CAS 221666-59-7C₂₈H₃₄ClN₅O₃