
 CHEMBL2322885

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2322885

>  <PubChem CID>
71718647

>  <Formula>
C21H24Cl2F3N5O3

>  <Molecular Weight>
522.350000

>  <IUPAC Name>
2-chloro-5-[4-[2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-3-methoxy-N,N-dimethylbenzamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC(=C(C(=C3)C(=O)N(C)C)Cl)OC)C(F)(F)F)Cl

>  <Isomeric SMILES>
CC1=C(C(=NN1CC(=O)N2CCN(CC2)C3=CC(=C(C(=C3)C(=O)N(C)C)Cl)OC)C(F)(F)F)Cl

>  <InChI Std. ID>
InChI=1S/C21H24Cl2F3N5O3/c1-12-17(22)19(21(24,25)26)27-31(12)11-16(32)30-7-5-29(6-8-30)13-9-14(20(33)28(2)3)18(23)15(10-13)34-4/h9-10H,5-8,11H2,1-4H3

>  <InChI Key>
AFQAOUGZKYKDEW-UHFFFAOYSA-N

