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A1IZ6

Summary
Name:2-[4-[(2-pyridin-3-yl-1,3-benzoxazol-6-yl)carbonyl]piperazin-1-yl]-3~{H}-quinazolin-4-one
Formula:C25 H20 N6 O3
Formal charge:0
Formula weight:452.465 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[4-[(2-pyridin-3-yl-1,3-benzoxazol-6-yl)carbonyl]piperazin-1-yl]-3~{H}-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C25H20N6O3/c32-22-18-5-1-2-6-19(18)28-25(29-22)31-12-10-30(11-13-31)24(33)16-7-8-20-21(14-16)34-23(27-20)17-4-3-9-26-15-17/h1-9,14-15H,10-13H2,(H,28,29,32)
InChIKeyInChI1.06NEEKCMPINYYRAZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC(=Nc2ccccc12)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cccnc6
SMILESCACTVS3.385O=C1NC(=Nc2ccccc12)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cccnc6
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)NC(=N2)N3CCN(CC3)C(=O)c4ccc5c(c4)oc(n5)c6cccnc6
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)NC(=N2)N3CCN(CC3)C(=O)c4ccc5c(c4)oc(n5)c6cccnc6

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PDB entries from 2026-02-11

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