
 CHEMBL605109

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL605109

>  <PubChem CID>
46226305

>  <Formula>
C29H26Cl2N4O3

>  <Molecular Weight>
549.452000

>  <IUPAC Name>
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)pyrazol-4-yl]acetamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C3=NN(C(=C3CC(=O)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C3=NN(C(=C3CC(=O)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C29H26Cl2N4O3/c30-21-12-10-19(11-13-21)27-22(18-25(32)36)26(33-35(27)24-9-5-4-8-23(24)31)28(37)34-16-14-29(38,15-17-34)20-6-2-1-3-7-20/h1-13,38H,14-18H2,(H2,32,36)

>  <InChI Key>
ABBQSZMLKDIOOJ-UHFFFAOYSA-N

