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S84

Summary
Name:N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE
Formula:C19 H25 F3 N4
Formal charge:0
Formula weight:366.424 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6N'-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-(trifluoromethyl)phenyl]-N,N'-dimethyl-ethane-1,2-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H25F3N4/c1-13-8-16(25-18(23)9-13)5-4-14-10-15(19(20,21)22)12-17(11-14)26(3)7-6-24-2/h8-12,24H,4-7H2,1-3H3,(H2,23,25)
InChIKeyInChI1.03HEAUHZMVJKXAQR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
SMILESCACTVS3.385CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F

248636

PDB entries from 2026-02-04

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