
 CHEMBL70952

 52 56  0  0  0  0  0  0  0  0999 V2000
    2.6470   -4.0091    4.3431 C   0  0  0  0  0
    1.2187   -3.9861    4.8759 C   0  0  0  0  0
    0.3568   -2.9991    4.0938 C   0  0  0  0  0
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    1.7527   -3.2121    2.1139 C   0  0  0  0  0
    2.6615   -4.2261    2.8303 C   0  0  0  0  0
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    2.9858   -3.3468   -0.0840 N   0  0  0  0  0
    3.6864   -2.1786   -0.2207 C   0  0  0  0  0
    4.8096   -2.4147   -0.9933 C   0  0  0  0  0
    4.8173   -3.8242   -1.2756 C   0  0  0  0  0
    5.7021   -4.6911   -1.9593 C   0  0  0  0  0
    5.3738   -6.0394   -2.1318 C   0  0  0  0  0
    4.1870   -6.5452   -1.6190 C   0  0  0  0  0
    3.3100   -5.7259   -0.9041 C   0  0  0  0  0
    3.6437   -4.3701   -0.7360 C   0  0  0  0  0
    5.7298   -1.3497   -1.4058 C   0  0  0  0  0
    5.8622   -0.3202   -0.7512 O   0  0  0  0  0
    6.4440   -1.4880   -2.7098 C   0  0  0  0  0
    5.6856   -1.8963   -3.8228 C   0  0  0  0  0
    6.2885   -2.0675   -5.0623 C   0  0  0  0  0
    7.6468   -1.8047   -5.2087 C   0  0  0  0  0
    8.4199   -1.3565   -4.1261 C   0  0  0  0  0
    9.7826   -1.0746   -4.3170 C   0  0  0  0  0
   10.5759   -0.6169   -3.2675 C   0  0  0  0  0
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    8.6660   -0.7311   -1.7990 C   0  0  0  0  0
    7.8276   -1.1853   -2.8470 C   0  0  0  0  0
    3.1380   -3.0565    4.5783 H   0  0  0  0  0
    3.2210   -4.7977    4.8416 H   0  0  0  0  0
    1.2228   -3.7151    5.9376 H   0  0  0  0  0
    0.7860   -4.9920    4.8040 H   0  0  0  0  0
   -0.6778   -3.0591    4.4495 H   0  0  0  0  0
    0.6906   -1.9703    4.2740 H   0  0  0  0  0
    0.0061   -4.2250    2.5094 H   0  0  0  0  0
    2.1407   -2.2004    2.2929 H   0  0  0  0  0
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    1.0524   -2.6938    0.1151 H   0  0  0  0  0
    1.2605   -4.4220    0.3650 H   0  0  0  0  0
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    6.0524   -6.6923   -2.6751 H   0  0  0  0  0
    3.9390   -7.5934   -1.7693 H   0  0  0  0  0
    2.3931   -6.1428   -0.5005 H   0  0  0  0  0
    4.6191   -2.0920   -3.7279 H   0  0  0  0  0
    5.7011   -2.4023   -5.9135 H   0  0  0  0  0
    8.1006   -1.9426   -6.1886 H   0  0  0  0  0
   10.2397   -1.2029   -5.2964 H   0  0  0  0  0
   11.6259   -0.3925   -3.4356 H   0  0  0  0  0
   10.6279   -0.0799   -1.1861 H   0  0  0  0  0
    8.2692   -0.5760   -0.7970 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 30  1  0  0  0
  2  3  1  0  0  0
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  2 32  1  0  0  0
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  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 36  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8 16  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
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 19 20  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL70952

>  <PubChem CID>
15015489

>  <Formula>
C25H24N2O

>  <Molecular Weight>
368.480000

>  <IUPAC Name>
naphthalen-1-yl-[1-(piperidin-2-ylmethyl)indol-3-yl]methanone

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCNC(C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
C1CCNC(C1)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C25H24N2O/c28-25(22-13-7-9-18-8-1-2-11-20(18)22)23-17-27(16-19-10-5-6-15-26-19)24-14-4-3-12-21(23)24/h1-4,7-9,11-14,17,19,26H,5-6,10,15-16H2

>  <InChI Key>
ACDWUXBEEILJEI-UHFFFAOYSA-N

