
 CHEMBL263171

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL263171

>  <PubChem CID>
44417941

>  <Formula>
C23H24F4N6O2

>  <Molecular Weight>
492.479000

>  <IUPAC Name>
N-[(2R)-5-(diaminomethylideneamino)-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]pentan-2-yl]-5-fluoro-1H-indole-2-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC(=CC=C1CNC(=O)C(CCCN=C(N)N)NC(=O)C2=CC3=C(N2)C=CC(=C3)F)C(F)(F)F

>  <Isomeric SMILES>
C1=CC(=CC=C1CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)C2=CC3=C(N2)C=CC(=C3)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H24F4N6O2/c24-16-7-8-17-14(10-16)11-19(32-17)21(35)33-18(2-1-9-30-22(28)29)20(34)31-12-13-3-5-15(6-4-13)23(25,26)27/h3-8,10-11,18,32H,1-2,9,12H2,(H,31,34)(H,33,35)(H4,28,29,30)/t18-/m1/s1

>  <InChI Key>
AKFNZWADMIAXFH-GOSISDBHSA-N

