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GYL

Summary
Name:N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide
Formula:C18 H17 Cl F N5 O
Formal charge:0
Formula weight:373.812 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide
OpenEye OEToolkits1.7.6N-[3-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-1H-1,2,4-triazol-3-yl]phenyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(Cl)c(CNc2nc(c1cc(NC(CC)=O)ccc1)nn2)c(ccc3)F
InChIInChI1.03InChI=1S/C18H17ClFN5O/c1-2-16(26)22-12-6-3-5-11(9-12)17-23-18(25-24-17)21-10-13-14(19)7-4-8-15(13)20/h3-9H,2,10H2,1H3,(H,22,26)(H2,21,23,24,25)
InChIKeyInChI1.03RBMCVMVCNBYBCI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)Nc1cccc(c1)c2n[nH]c(NCc3c(F)cccc3Cl)n2
SMILESCACTVS3.385CCC(=O)Nc1cccc(c1)c2n[nH]c(NCc3c(F)cccc3Cl)n2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F
SMILESOpenEye OEToolkits1.7.6CCC(=O)Nc1cccc(c1)c2nc([nH]n2)NCc3c(cccc3Cl)F

218853

PDB entries from 2024-04-24

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