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9I3

Summary
Name:3-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-c][2,7]naphthyridin-5-one
Formula:C25 H21 Cl2 N3 O
Formal charge:0
Formula weight:450.36 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[(3-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-2,4-dihydro-1~{H}-pyrido[2,3-c][2,7]naphthyridin-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H21Cl2N3O/c26-19-8-6-17(7-9-19)15-30-24-22(5-2-11-28-24)21-10-12-29(16-23(21)25(30)31)14-18-3-1-4-20(27)13-18/h1-9,11,13H,10,12,14-16H2
InChIKeyInChI1.03JCFSCDLNZWVEMF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)c5cccnc25)cc1
SMILESCACTVS3.385Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)c5cccnc25)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4c3cccn4)Cc5ccc(cc5)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)Cl)CN2CCC3=C(C2)C(=O)N(c4c3cccn4)Cc5ccc(cc5)Cl

227344

PDB entries from 2024-11-13

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