
 CHEMBL2153440

 52 55  0  0  0  0  0  0  0  0999 V2000
    0.7399   -7.3396   -0.3906 C   0  0  0  0  0
    1.6498   -6.2780   -0.4404 C   0  0  0  0  0
    2.3029   -5.9184   -1.6360 C   0  0  0  0  0
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    0.7185   -8.6063   -4.1699 Cl  0  0  0  0  0
    3.2710   -4.7963   -1.6772 C   0  0  0  0  0
    4.1388   -4.5402   -0.6017 C   0  0  0  0  0
    5.0419   -3.4709   -0.6262 C   0  0  0  0  0
    5.1225   -2.6276   -1.7387 C   0  0  0  0  0
    4.2769   -2.8769   -2.8237 C   0  0  0  0  0
    3.3625   -3.9393   -2.7884 C   0  0  0  0  0
    6.0803   -1.4654   -1.7472 C   0  0  0  0  0
    7.4616   -1.8838   -1.7220 N   0  0  0  0  0
    8.4637   -0.9427   -1.7228 C   0  0  0  0  0
    8.2622    0.2650   -1.8205 O   0  0  0  0  0
    9.8597   -1.5135   -1.5835 C   0  0  0  0  0
   10.5414   -1.0767   -0.2843 C   0  0  0  0  0
    9.7817   -1.3934    1.0120 C   0  0  0  0  0
    9.6125   -2.8685    1.2754 C   0  0  0  0  0
    8.8073   -3.5447    0.4216 N   0  0  0  0  0
    8.6432   -4.8574    0.5668 C   0  0  0  0  0
    9.2491   -5.5558    1.6255 C   0  0  0  0  0
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    8.2462   -7.5791    0.7895 C   0  0  0  0  0
    7.6995   -6.8105   -0.2186 C   0  0  0  0  0
    7.8843   -5.4778   -0.3321 N   0  0  0  0  0
   10.0491   -4.8469    2.5305 C   0  0  0  0  0
   10.2403   -3.4831    2.3490 C   0  0  0  0  0
    0.2545   -7.5942    0.5482 H   0  0  0  0  0
    1.8343   -5.7184    0.4751 H   0  0  0  0  0
    2.4823   -6.4415   -3.7323 H   0  0  0  0  0
   -0.2597   -8.8827   -1.5063 H   0  0  0  0  0
    4.1375   -5.1813    0.2769 H   0  0  0  0  0
    5.6950   -3.3092    0.2298 H   0  0  0  0  0
    4.3141   -2.2415   -3.7062 H   0  0  0  0  0
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    7.6805   -2.7925   -1.3124 H   0  0  0  0  0
   10.4414   -1.1486   -2.4389 H   0  0  0  0  0
    9.8498   -2.6035   -1.6803 H   0  0  0  0  0
   10.6991    0.0088   -0.3226 H   0  0  0  0  0
   11.5379   -1.5348   -0.2454 H   0  0  0  0  0
    8.7924   -0.9214    1.0072 H   0  0  0  0  0
   10.3278   -0.9356    1.8468 H   0  0  0  0  0
    9.4849   -7.5110    2.5391 H   0  0  0  0  0
    8.0650   -8.6470    0.8351 H   0  0  0  0  0
    7.0766   -7.2541   -0.9906 H   0  0  0  0  0
   10.5302   -5.3515    3.3647 H   0  0  0  0  0
   10.8665   -2.9205    3.0336 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 34  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
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 14 15  1  0  0  0
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 14 40  1  0  0  0
 15 16  1  0  0  0
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 16 18  1  0  0  0
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 18 19  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 29  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2153440

>  <PubChem CID>
71462027

>  <Formula>
C25H22ClN3O

>  <Molecular Weight>
415.921000

>  <IUPAC Name>
N-[[4-(3-chlorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <Isomeric SMILES>
C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <InChI Std. ID>
InChI=1S/C25H22ClN3O/c26-22-6-1-4-21(16-22)19-11-9-18(10-12-19)17-28-24(30)8-2-7-23-14-13-20-5-3-15-27-25(20)29-23/h1,3-6,9-16H,2,7-8,17H2,(H,28,30)

>  <InChI Key>
WQQRCIURTFHROP-UHFFFAOYSA-N

