
 CHEMBL438965

 53 57  0  0  0  0  0  0  0  0999 V2000
    1.6259    2.5918   -1.7760 C   0  0  0  0  0
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    3.8839    0.3385   -0.7344 C   0  0  0  0  0
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    3.9374   -1.4213   -2.5134 C   0  0  0  0  0
    3.2632   -2.3955   -1.6350 N   0  0  0  0  0
    3.5077   -2.0986   -0.2120 C   0  0  0  0  0
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    1.0109    3.4983   -1.7890 H   0  0  0  0  0
    2.5150    4.7751   -0.3981 H   0  0  0  0  0
    4.3713    5.8373    1.4020 H   0  0  0  0  0
    6.2973    5.1589    2.8189 H   0  0  0  0  0
    5.9587    1.0989    1.4260 H   0  0  0  0  0
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    1.1448   -4.3117   -2.2674 H   0  0  0  0  0
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    5.6400   -4.9606   -0.3859 H   0  0  0  0  0
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  4  5  2  0  0  0
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  7  8  2  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL438965

>  <PubChem CID>
44413423

>  <Formula>
C25H25ClN2

>  <Molecular Weight>
388.939000

>  <IUPAC Name>
5-chloro-2-methyl-3-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1H-indole

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=C(C2=C(N1)C=CC(=C2)Cl)C3CCN(CC3)CC4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
CC1=C(C2=C(N1)C=CC(=C2)Cl)C3CCN(CC3)CC4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C25H25ClN2/c1-17-25(23-15-21(26)9-10-24(23)27-17)19-11-13-28(14-12-19)16-20-7-4-6-18-5-2-3-8-22(18)20/h2-10,15,19,27H,11-14,16H2,1H3

>  <InChI Key>
AAVKSWRCTYHNEP-UHFFFAOYSA-N

