
 CHEMBL340369

 86 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL340369

>  <PubChem CID>
10555187

>  <Formula>
C34H45ClN4O2

>  <Molecular Weight>
577.210000

>  <IUPAC Name>
1-[2-[(4-chlorophenoxy)methyl]-1-(2-piperidin-4-ylethyl)indol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)CC(=O)C3=C(N(C4=CC=CC=C43)CCC5CCNCC5)COC6=CC=C(C=C6)Cl

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)CC(=O)C3=C(N(C4=CC=CC=C43)CCC5CCNCC5)COC6=CC=C(C=C6)Cl

>  <InChI Std. ID>
InChI=1S/C34H45ClN4O2/c35-27-8-10-29(11-9-27)41-25-32-34(33(40)24-37-21-15-28(16-22-37)38-19-4-1-5-20-38)30-6-2-3-7-31(30)39(32)23-14-26-12-17-36-18-13-26/h2-3,6-11,26,28,36H,1,4-5,12-25H2

>  <InChI Key>
LALYZNGWBRRKHG-UHFFFAOYSA-N

