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A1PSD

Summary
Name:1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]piperidin-2-one
Formula:C15 H14 F N5 O
Formal charge:0
Formula weight:299.303 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.521-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]piperidin-2-one
OpenEye OEToolkits3.1.0.01-[(7-fluoranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)amino]piperidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccc2c3c(ncnc3[NH]c2c1)NN1CCCCC1=O
InChIInChI1.06InChI=1S/C15H14FN5O/c16-9-4-5-10-11(7-9)19-14-13(10)15(18-8-17-14)20-21-6-2-1-3-12(21)22/h4-5,7-8H,1-3,6H2,(H2,17,18,19,20)
InChIKeyInChI1.06YAWBNOXEIYVCCS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc2c([nH]c3ncnc(NN4CCCCC4=O)c23)c1
SMILESCACTVS3.385Fc1ccc2c([nH]c3ncnc(NN4CCCCC4=O)c23)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCCC4=O
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCCC4=O

262786

PDB entries from 2026-11-11

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