
 CHEMBL460093

 62 66  0  0  0  0  0  0  0  0999 V2000
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    4.4453   -0.1132   -1.6929 N   0  0  0  0  0
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   -0.5014   -1.3204    2.5838 H   0  0  0  0  0
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    2.4462   -6.4924    2.5023 H   0  0  0  0  0
    0.0143   -6.0794    2.5846 H   0  0  0  0  0
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    5.4065   -0.2421   -1.3774 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL460093

>  <PubChem CID>
44562786

>  <Formula>
C28H29Cl2FN2

>  <Molecular Weight>
483.452000

>  <IUPAC Name>
[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methanamine

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2CC(CC1N2C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)(CC5=CC=C(C=C5)F)CN

>  <Isomeric SMILES>
C1C[C@H]2CC(C[C@H]1N2C(C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)(CC5=CC=C(C=C5)F)CN

>  <InChI Std. ID>
InChI=1S/C28H29Cl2FN2/c29-25-7-3-1-5-23(25)27(24-6-2-4-8-26(24)30)33-21-13-14-22(33)17-28(16-21,18-32)15-19-9-11-20(31)12-10-19/h1-12,21-22,27H,13-18,32H2/t21-,22-/m0/s1

>  <InChI Key>
BJUFPJMTZSDVBA-VXKWHMMOSA-N

