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Murcko scaffold

Ring system with 4 rings and 30 atoms

11 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
30
Chemicals
11
With full pages
4
Scaffold SMILES

O=C(Cc1ccc(COC(=O)c2ccccc2)cc1)Nc1ccc2cnccc2c1

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(Cc1ccc(COC(=O)c2ccccc2)cc1)Nc1ccc2cnccc2c1

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 11 of 11 chemicals

4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate chemical structure, C28H27N3O3, CAS 1254032-17-1
4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
CAS 1254032-17-1C28H27N3O3
4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate chemical structure, C33H35N3O5, CAS 1253955-17-7
4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
CAS 1253955-17-7C33H35N3O5
Netarsudil dihydrochloride chemical structure, C28H29Cl2N3O3, CAS 1253952-02-1
Netarsudil dihydrochloride
CAS 1253952-02-1C28H29Cl2N3O3
Netarsudil chemical structure, C28H27N3O3, CAS 1254032-66-0
Netarsudil
CAS 1254032-66-0C28H27N3O3
(R)-4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate dihydrochloride chemical structure, C28H29Cl2N3O3, CAS 1253952-03-2
(R)-4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate dihydrochloride
CAS 1253952-03-2C28H29Cl2N3O3
(R)-4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate, methanesulfonic acid (1:2) chemical structure, C28H27N3O3, CAS 1254032-67-1
(R)-4-(3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate, methanesulfonic acid (1:2)
CAS 1254032-67-1C28H27N3O3
(R)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate chemical structure, C33H35N3O5, CAS 1253955-20-2
(R)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
CAS 1253955-20-2C33H35N3O5
(S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate chemical structure, C33H35N3O5, CAS 1253955-19-9
(S)-4-(3-((tert-Butoxycarbonyl)amino)-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl)benzyl 2,4-dimethylbenzoate
CAS 1253955-19-9C33H35N3O5
[4-[(2S)-3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate, methanesulfonic acid chemical structure, C29H31N3O6S, CAS 2166548-12-3
[4-[(2S)-3-Amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate, methanesulfonic acid
CAS 2166548-12-3C29H31N3O6S
Netarsudil mesylate chemical structure, C30H35N3O9S2, CAS 1422144-42-0
Netarsudil mesylate
CAS 1422144-42-0C30H35N3O9S2
Netarsudil-d4-dihydrochloride chemical structure, C28H29Cl2N3O3, CAS 2377406-72-7
Netarsudil-d4-dihydrochloride
CAS 2377406-72-7C28H29Cl2N3O3