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FRQ

Summary
Name:5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE
Formula:C23 H24 F N3 O2
Formal charge:0
Formula weight:393.454 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]quinazoline-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.05-fluoro-1-[4-[(1R)-4-phenyl-3,6-dihydro-2H-pyridin-1-yl]butyl]quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc2c1C(=O)NC(=O)N2CCCCN4CC=C(c3ccccc3)CC4
SMILES_CANONICALCACTVS3.341Fc1cccc2N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12
SMILESCACTVS3.341Fc1cccc2N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C2=CC[N@@](CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C2=CCN(CC2)CCCCN3c4cccc(c4C(=O)NC3=O)F
InChIInChI1.03InChI=1S/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)
InChIKeyInChI1.03PNPFDRCIGCUCMN-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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