FJE

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Summary

Name:[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone
Formula:C14 H8 Cl F2 N3 O
Formal charge:0
Molecular weight:307.683 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20)
InChIKeyInChI1.03MVKWDNQCWQPTST-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23
SMILESCACTVS3.385Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F
SMILESOpenEye OEToolkits2.0.6c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F
169117
PDB entries from 2020-09-23