
 BDBM118149

 75 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM118149

>  <PubChem CID>
132471078

>  <Formula>
C36H31Cl2N3O3

>  <Molecular Weight>
624.562000

>  <IUPAC Name>
3-[4-[5-[bis(4-chlorophenyl)methyl]-2-cyclopropylindazol-3-yl]piperidine-1-carbonyl]benzoic acid

>  <XlogP>
7.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1N2C(=C3C=C(C=CC3=N2)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6CCN(CC6)C(=O)C7=CC(=CC=C7)C(=O)O

>  <Isomeric SMILES>
C1CC1N2C(=C3C=C(C=CC3=N2)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6CCN(CC6)C(=O)C7=CC(=CC=C7)C(=O)O

>  <InChI Std. ID>
InChI=1S/C36H31Cl2N3O3/c37-28-9-4-22(5-10-28)33(23-6-11-29(38)12-7-23)25-8-15-32-31(21-25)34(41(39-32)30-13-14-30)24-16-18-40(19-17-24)35(42)26-2-1-3-27(20-26)36(43)44/h1-12,15,20-21,24,30,33H,13-14,16-19H2,(H,43,44)

>  <InChI Key>
ADTMHUMMYNNSMI-UHFFFAOYSA-N

