
 CHEMBL480165

 60 63  0  0  0  0  0  0  0  0999 V2000
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   14.1550   10.3983    3.7776 Cl  0  0  0  0  0
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    5.3759    3.4874    1.3583 H   0  0  0  0  0
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    1.4977    1.1600    3.3841 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL480165

>  <PubChem CID>
44568428

>  <Formula>
C24H29Cl2N3O2

>  <Molecular Weight>
462.415000

>  <IUPAC Name>
3,4-dichloro-N-[(3S)-1-[2-(4-piperidin-4-yloxyphenyl)ethyl]pyrrolidin-3-yl]benzamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNCCC1OC2=CC=C(C=C2)CCN3CCC(C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(C[C@H]1NC(=O)C2=CC(=C(C=C2)Cl)Cl)CCC3=CC=C(C=C3)OC4CCNCC4

>  <InChI Std. ID>
InChI=1S/C24H29Cl2N3O2/c25-22-6-3-18(15-23(22)26)24(30)28-19-10-14-29(16-19)13-9-17-1-4-20(5-2-17)31-21-7-11-27-12-8-21/h1-6,15,19,21,27H,7-14,16H2,(H,28,30)/t19-/m0/s1

>  <InChI Key>
DPNJNFFAQJQRRQ-IBGZPJMESA-N

