
 CHEMBL604999

 56 60  0  0  0  0  0  0  0  0999 V2000
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    9.4032   -5.8981    0.5445 N   0  0  0  0  0
   11.0159   -5.2674   -2.5251 N   0  0  0  0  0
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   15.5065   -5.9754   -1.8713 C   0  0  0  0  0
   14.7699   -6.9982   -1.4344 N   0  0  0  0  0
   13.4777   -6.7161   -1.8603 O   0  0  0  0  0
   16.8383   -5.9082   -1.6567 O   0  0  0  0  0
   17.4119   -7.1138   -1.1608 C   0  0  0  0  0
    7.2356   -4.0760    1.6119 F   0  0  0  0  0
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    7.4640    4.3201    0.6241 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL604999

>  <PubChem CID>
46230354

>  <Formula>
C24H18ClF2N7O4

>  <Molecular Weight>
541.900000

>  <IUPAC Name>
N-[5-[[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]methylamino]-1H-pyrazol-4-yl]-3-methoxy-1,2-oxazole-5-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=NC(=NO1)C2=C(C=C(C=C2C3=CC(=C(C=C3)CNC4=C(C=NN4)NC(=O)C5=CC(=NO5)OC)F)Cl)F

>  <Isomeric SMILES>
CC1=NC(=NO1)C2=C(C=C(C=C2C3=CC(=C(C=C3)CNC4=C(C=NN4)NC(=O)C5=CC(=NO5)OC)F)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H18ClF2N7O4/c1-11-30-23(34-37-11)21-15(6-14(25)7-17(21)27)12-3-4-13(16(26)5-12)9-28-22-18(10-29-32-22)31-24(35)19-8-20(36-2)33-38-19/h3-8,10H,9H2,1-2H3,(H,31,35)(H2,28,29,32)

>  <InChI Key>
CKDCETIXLNSACD-UHFFFAOYSA-N

