
 CHEMBL256299

 62 65  0  0  0  0  0  0  0  0999 V2000
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    1.9004   -4.4562   -1.4056 N   0  0  0  0  0
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    1.1937   -2.8298   -0.2478 H   0  0  0  0  0
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    3.3180   -3.9182    5.7349 H   0  0  0  0  0
    1.9802   -4.9714    5.2310 H   0  0  0  0  0
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    2.2427   -5.4920   -3.9379 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  2 24  1  0  0  0
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  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
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  6  7  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL256299

>  <PubChem CID>
44448315

>  <Formula>
C25H32ClN3O

>  <Molecular Weight>
426.001000

>  <IUPAC Name>
2-(3-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=C4)Cl

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

>  <InChI Std. ID>
InChI=1S/C25H32ClN3O/c1-27(22-12-7-11-21(26)17-22)19-25(30)29-16-8-13-23(20-9-3-2-4-10-20)24(29)18-28-14-5-6-15-28/h2-4,7,9-12,17,23-24H,5-6,8,13-16,18-19H2,1H3/t23-,24+/m1/s1

>  <InChI Key>
DRZPPVFBGGBMTR-RPWUZVMVSA-N

