Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1E5A

Summary
Name:3-azanyl-5-chloranyl-4-(7-fluoranyl-2H-indazol-4-yl)-7-methyl-1H-1,6-naphthyridin-2-one
Formula:C16 H11 Cl F N5 O
Formal charge:0
Formula weight:343.743 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-azanyl-5-chloranyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-7-methyl-1~{H}-1,6-naphthyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C16H11ClFN5O/c1-6-4-10-12(15(17)21-6)11(13(19)16(24)22-10)7-2-3-9(18)14-8(7)5-20-23-14/h2-5H,19H2,1H3,(H,20,23)(H,22,24)
InChIKeyInChI1.06CUNCXCTTWGBCLJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc2NC(=O)C(=C(c3ccc(F)c4n[nH]cc34)c2c(Cl)n1)N
SMILESCACTVS3.385Cc1cc2NC(=O)C(=C(c3ccc(F)c4n[nH]cc34)c2c(Cl)n1)N
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc2c(c(n1)Cl)C(=C(C(=O)N2)N)c3ccc(c4c3c[nH]n4)F
SMILESOpenEye OEToolkits2.0.7Cc1cc2c(c(n1)Cl)C(=C(C(=O)N2)N)c3ccc(c4c3c[nH]n4)F

251422

PDB entries from 2026-04-01

PDB statisticsPDBj update infoContact PDBjnumon