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Murcko scaffold

Ring system with 5 rings and 33 atoms

18 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
33
Chemicals
18
With full pages
4
Scaffold SMILES

O=C(CN1CCNCC1)Nc1ccc(N=C(c2ccccc2)c2c[nH]c3ccccc23)cc1

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(CN1CCNCC1)Nc1ccc(N=C(c2ccccc2)c2c[nH]c3ccccc23)cc1

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 18 of 18 chemicals

Nintedanib chemical structure, C31H33N5O4, CAS 656247-17-5
Nintedanib
CAS 656247-17-5C31H33N5O4
Nintedanib carboxylic acid chemical structure, C30H31N5O4, CAS 894783-71-2
Nintedanib carboxylic acid
CAS 894783-71-2C30H31N5O4
Nintedanib esylate chemical structure, C33H39N5O7S, CAS 656247-18-6
Nintedanib esylate
CAS 656247-18-6C33H39N5O7S
(Z)-Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate hydrochloride chemical structure, C31H34ClN5O4, CAS 959761-73-0
(Z)-Methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate hydrochloride
CAS 959761-73-0C31H34ClN5O4
Nintedanib impurity D chemical structure, C32H35N5O4, CAS 1139455-52-9
Nintedanib impurity D
CAS 1139455-52-9C32H35N5O4
(Z)-Methyl 3-(((4-(N-methyl-2-(piperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate chemical structure, C30H31N5O4, CAS 334951-61-0
(Z)-Methyl 3-(((4-(N-methyl-2-(piperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
CAS 334951-61-0C30H31N5O4
Desmethyl nintedanib chemical structure, C30H31N5O4, CAS 894783-61-0
Desmethyl nintedanib
CAS 894783-61-0C30H31N5O4
Intedanib-d3 chemical structure, C31H33N5O4, CAS 1624587-84-3
Intedanib-d3
CAS 1624587-84-3C31H33N5O4
Nintedanib impurity E chemical structure, C29H31N5O2, CAS 262366-32-5
Nintedanib impurity E
CAS 262366-32-5C29H31N5O2
Methyl-1-acetyl-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)phenyl)methylene)-2-oxoindoline-6-carboxylate chemical structure, C33H35N5O5, CAS 2130844-77-6
Methyl-1-acetyl-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)phenyl)methylene)-2-oxoindoline-6-carboxylate
CAS 2130844-77-6C33H35N5O5
Melk-IN-1 chemical structure, C31H33N5O4, CAS 2095596-44-2
Melk-IN-1
CAS 2095596-44-2C31H33N5O4
Nintedanib esylate hemihydrate chemical structure, C66H80N10O15S2, CAS 959762-24-4
Nintedanib esylate hemihydrate
CAS 959762-24-4C66H80N10O15S2
Intedanib Piperazinyl-N4-oxide chemical structure, C31H33N5O5, CAS 3029792-02-4
Intedanib Piperazinyl-N4-oxide
CAS 3029792-02-4C31H33N5O5
Nintedanib-d8 chemical structure, C31H33N5O4, CAS 1624587-87-6
Nintedanib-d8
CAS 1624587-87-6C31H33N5O4
4-[2-[[4-[[(Z)-[1,2-Dihydro-6-(methoxycarbonyl)-2-oxo-3H-indol-3-ylidene]phenylmethyl]amino]phenyl]methylamino]-2-oxoethyl]-1,1-dimethylpiperazinium chemical structure, C32H36N5O4+, CAS 1799894-54-4
4-[2-[[4-[[(Z)-[1,2-Dihydro-6-(methoxycarbonyl)-2-oxo-3H-indol-3-ylidene]phenylmethyl]amino]phenyl]methylamino]-2-oxoethyl]-1,1-dimethylpiperazinium
CAS 1799894-54-4C32H36N5O4+
Intedanib piperazinyl N,N'-dioxide chemical structure, C31H33N5O6, CAS 3029899-97-3
Intedanib piperazinyl N,N'-dioxide
CAS 3029899-97-3C31H33N5O6
(Z)-1-(2-((4-(((6-(Methoxycarbonyl)-2-oxoindolin-3-ylidene)(phenyl)methyl)amino)phenyl)(methyl)amino)-2-oxoethyl)-4-methylpiperazine 1-oxide chemical structure, C31H33N5O5, CAS 3029792-00-2
(Z)-1-(2-((4-(((6-(Methoxycarbonyl)-2-oxoindolin-3-ylidene)(phenyl)methyl)amino)phenyl)(methyl)amino)-2-oxoethyl)-4-methylpiperazine 1-oxide
CAS 3029792-00-2C31H33N5O5
Deuterated nintedanib chemical structure, C31H33N5O4, CAS 1646279-51-7
Deuterated nintedanib
CAS 1646279-51-7C31H33N5O4