
 CHEMBL254356

 62 65  0  0  0  0  0  0  0  0999 V2000
    4.1109   -3.3159   -3.4131 C   0  0  0  0  0
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    6.1268   -6.3958    4.0374 H   0  0  0  0  0
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    4.3659   -0.7112   -3.5913 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL254356

>  <PubChem CID>
44448775

>  <Formula>
C25H31Cl2N3O

>  <Molecular Weight>
460.443000

>  <IUPAC Name>
2-(3,4-dichloro-N-methylanilino)-1-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

>  <Isomeric SMILES>
CN(CC(=O)N1CCCC(C1CN2CCCC2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3

>  <InChI Key>
HXWCQEQIPYCSAM-UHFFFAOYSA-N

