
 CHEMBL517733

 61 65  0  0  0  0  0  0  0  0999 V2000
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    5.4495   -2.5237    0.1467 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL517733

>  <PubChem CID>
44562791

>  <Formula>
C27H29Cl2N3

>  <Molecular Weight>
466.450000

>  <IUPAC Name>
[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-(3-methylpyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=CC=C1)C2(CC3CCC(C2)N3C(C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)CN

>  <Isomeric SMILES>
CC1=C(N=CC=C1)C2(C[C@@H]3CC[C@@H](C2)N3C(C4=CC=CC=C4Cl)C5=CC=CC=C5Cl)CN

>  <InChI Std. ID>
InChI=1S/C27H29Cl2N3/c1-18-7-6-14-31-26(18)27(17-30)15-19-12-13-20(16-27)32(19)25(21-8-2-4-10-23(21)28)22-9-3-5-11-24(22)29/h2-11,14,19-20,25H,12-13,15-17,30H2,1H3/t19-,20-/m0/s1

>  <InChI Key>
BDBVMIPKTBKEGG-PMACEKPBSA-N

