
 CHEMBL437216

 68 72  0  0  0  0  0  0  0  0999 V2000
    2.4195   -2.8398   -3.3229 C   0  0  0  0  0
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    5.9178   -2.0937    3.4623 H   0  0  0  0  0
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    4.2613    0.8706   -5.8695 H   0  0  0  0  0
    2.8911   -0.5571   -4.4693 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL437216

>  <PubChem CID>
44448314

>  <Formula>
C29H35N3O

>  <Molecular Weight>
441.619000

>  <IUPAC Name>
2-[methyl(naphthalen-2-yl)amino]-1-[(2R,3R)-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=CC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
CN(CC(=O)N1CCC[C@@H]([C@@H]1CN2CCCC2)C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C29H35N3O/c1-30(26-16-15-23-10-5-6-13-25(23)20-26)22-29(33)32-19-9-14-27(24-11-3-2-4-12-24)28(32)21-31-17-7-8-18-31/h2-6,10-13,15-16,20,27-28H,7-9,14,17-19,21-22H2,1H3/t27-,28+/m1/s1

>  <InChI Key>
ADUBKELDHZMPAG-IZLXSDGUSA-N

