
 SCHEMBL18548061

 84 90  0  0  0  0  0  0  0  0999 V2000
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    9.8310   13.1052    1.1191 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL18548061

>  <PubChem CID>
126617219

>  <Formula>
C37H36Cl2N4O4S

>  <Molecular Weight>
703.679000

>  <IUPAC Name>
4-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidin-1-yl]sulfonyl-2-methoxy-N-methylbenzamide

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CNC(=O)C1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=C4C=C(C=CC4=NN3C5CC5)C(C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl)OC

>  <Isomeric SMILES>
CNC(=O)C1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=C4C=C(C=CC4=NN3C5CC5)C(C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl)OC

>  <InChI Std. ID>
InChI=1S/C37H36Cl2N4O4S/c1-40-37(44)31-15-14-30(22-34(31)47-2)48(45,46)42-19-17-25(18-20-42)36-32-21-26(7-16-33(32)41-43(36)29-12-13-29)35(23-3-8-27(38)9-4-23)24-5-10-28(39)11-6-24/h3-11,14-16,21-22,25,29,35H,12-13,17-20H2,1-2H3,(H,40,44)

>  <InChI Key>
AGFWCFSZHJHACI-UHFFFAOYSA-N

