
 CHEMBL516801

 67 71  0  0  0  0  0  0  0  0999 V2000
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    6.1335    3.0614    5.8368 O   0  0  0  0  0
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    4.5056    1.7691   -0.1651 H   0  0  0  0  0
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    5.5298    4.1195   -2.9594 H   0  0  0  0  0
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    5.9980    6.3867   -2.1081 H   0  0  0  0  0
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    6.2856    9.0672    2.7032 H   0  0  0  0  0
    4.8226   10.7658    1.6346 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL516801

>  <PubChem CID>
44562704

>  <Formula>
C29H31Cl2N3O2

>  <Molecular Weight>
524.486000

>  <IUPAC Name>
N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-(6-methoxypyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCC1(CC2CCC(C1)N2C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)C5=NC(=CC=C5)OC

>  <Isomeric SMILES>
CC(=O)NCC1(C[C@@H]2CC[C@@H](C1)N2C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)C5=NC(=CC=C5)OC

>  <InChI Std. ID>
InChI=1S/C29H31Cl2N3O2/c1-19(35)32-18-29(26-12-7-13-27(33-26)36-2)16-20-14-15-21(17-29)34(20)28(22-8-3-5-10-24(22)30)23-9-4-6-11-25(23)31/h3-13,20-21,28H,14-18H2,1-2H3,(H,32,35)/t20-,21-/m0/s1

>  <InChI Key>
AOXJOMIDFAZSDN-SFTDATJTSA-N

