
 CHEMBL404244

 62 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL404244

>  <PubChem CID>
44448289

>  <Formula>
C25H32ClN3O

>  <Molecular Weight>
426.001000

>  <IUPAC Name>
2-(2-chloro-N-methylanilino)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC(=O)N1CCCC(C1CN2CCCC2)C3=CC=CC=C3)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
CN(CC(=O)N1CCC[C@@H]([C@@H]1CN2CCCC2)C3=CC=CC=C3)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C25H32ClN3O/c1-27(23-14-6-5-13-22(23)26)19-25(30)29-17-9-12-21(20-10-3-2-4-11-20)24(29)18-28-15-7-8-16-28/h2-6,10-11,13-14,21,24H,7-9,12,15-19H2,1H3/t21-,24+/m1/s1

>  <InChI Key>
DPPAACSODVIBIE-QPPBQGQZSA-N

