
 CHEMBL247160

 74 78  0  0  0  0  0  0  0  0999 V2000
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    0.5536    0.4898    4.0372 H   0  0  0  0  0
    2.8172    4.5070   -0.8251 H   0  0  0  0  0
    4.3236    5.0091    1.0040 H   0  0  0  0  0
    3.0103    5.4686    2.0780 H   0  0  0  0  0
    4.0322    7.4869    1.1965 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL247160

>  <PubChem CID>
44440394

>  <Formula>
C32H33ClF2N4O2

>  <Molecular Weight>
579.089000

>  <IUPAC Name>
4-[[2-(4-chlorophenyl)ethyl-[1-(2,6-difluorobenzoyl)piperidin-4-yl]amino]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCC3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)C5=C(C=CC=C5F)F

>  <Isomeric SMILES>
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN(CCC3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)C5=C(C=CC=C5F)F

>  <InChI Std. ID>
InChI=1S/C32H33ClF2N4O2/c1-22-27(31(40)39(36(22)2)26-7-4-3-5-8-26)21-38(18-15-23-11-13-24(33)14-12-23)25-16-19-37(20-17-25)32(41)30-28(34)9-6-10-29(30)35/h3-14,25H,15-21H2,1-2H3

>  <InChI Key>
AZTSGCZWMJWVIL-UHFFFAOYSA-N

