
 CHEMBL1682640

 74 78  0  0  0  0  0  0  0  0999 V2000
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    6.8478    9.5220    0.2173 H   0  0  0  0  0
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    6.3682    6.3099    1.8142 H   0  0  0  0  0
   10.0128    6.7651    4.9367 H   0  0  0  0  0
   11.8468    5.5331    1.2544 H   0  0  0  0  0
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    2.8075    3.0218   -0.5211 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1682640

>  <PubChem CID>
53323699

>  <Formula>
C32H33Cl4N3O2

>  <Molecular Weight>
633.435000

>  <IUPAC Name>
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)NC1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)12-14-39(15-13-31)20-25-18-32(25,24-9-11-27(34)29(36)16-24)30(41)38(2)19-22-8-10-26(33)17-28(22)35/h3-11,16-17,25H,12-15,18-20H2,1-2H3,(H,37,40)

>  <InChI Key>
BEGFCGPNILKSKQ-UHFFFAOYSA-N

