
 CHEMBL600480

 64 69  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL600480

>  <PubChem CID>
46231017

>  <Formula>
C29H22Cl5N7O

>  <Molecular Weight>
661.793000

>  <IUPAC Name>
[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)pyrazol-3-yl]-[4-(2,3-dichlorophenyl)piperazin-1-yl]methanone

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1C2=C(C(=CC=C2)Cl)Cl)C(=O)C3=NN(C(=C3CN4C=NC=N4)C5=CC=C(C=C5)Cl)C6=C(C=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1C2=C(C(=CC=C2)Cl)Cl)C(=O)C3=NN(C(=C3CN4C=NC=N4)C5=CC=C(C=C5)Cl)C6=C(C=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C29H22Cl5N7O/c30-19-6-4-18(5-7-19)28-21(15-40-17-35-16-36-40)27(37-41(28)24-9-8-20(31)14-23(24)33)29(42)39-12-10-38(11-13-39)25-3-1-2-22(32)26(25)34/h1-9,14,16-17H,10-13,15H2

>  <InChI Key>
ARIZXJMCKDVHLG-UHFFFAOYSA-N

