
 CHEMBL1682666

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1682666

>  <PubChem CID>
11685645

>  <Formula>
C33H37Cl2N3O2

>  <Molecular Weight>
578.578000

>  <IUPAC Name>
(1S,2R)-2-[[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]methyl]-N-benzyl-1-(3,4-dichlorophenyl)-N-methylcyclopropane-1-carboxamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N(C)C1(CCN(CC1)CC2CC2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)N(C)C1(CCN(CC1)C[C@@H]2C[C@]2(C3=CC(=C(C=C3)Cl)Cl)C(=O)N(C)CC4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C33H37Cl2N3O2/c1-24(39)37(3)32(26-12-8-5-9-13-26)16-18-38(19-17-32)23-28-21-33(28,27-14-15-29(34)30(35)20-27)31(40)36(2)22-25-10-6-4-7-11-25/h4-15,20,28H,16-19,21-23H2,1-3H3/t28-,33+/m0/s1

>  <InChI Key>
BAOSJUSHNIOEOW-QPQHGXMVSA-N

