
 CHEMBL469974

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.9627    0.7964    4.0240 C   0  0  0  0  0
    2.9032    0.6663    2.5030 C   0  0  0  0  0
    1.4791    0.4186    1.9631 C   0  0  0  0  0
    0.4924    1.5346    2.2274 C   0  0  0  0  0
    0.3358    2.5780    1.3046 C   0  0  0  0  0
   -0.5617    3.6168    1.5561 C   0  0  0  0  0
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   -1.1675    2.5890    3.6534 C   0  0  0  0  0
   -0.2732    1.5476    3.4019 C   0  0  0  0  0
    3.5306    1.8359    1.8939 N   0  0  0  0  0
    4.3262    1.7432    0.7705 C   0  0  0  0  0
    4.5067    0.6761    0.1885 O   0  0  0  0  0
    4.9733    3.0038    0.2688 C   0  0  0  0  0
    4.9503    4.1833    1.0381 C   0  0  0  0  0
    5.5810    5.3464    0.5901 C   0  0  0  0  0
    6.2580    5.3466   -0.6233 C   0  0  0  0  0
    6.3269    4.1772   -1.3787 C   0  0  0  0  0
    5.7052    2.9975   -0.9419 C   0  0  0  0  0
    5.7935    1.8260   -1.7310 N   0  0  0  0  0
    6.9142    1.4432   -2.4390 C   0  0  0  0  0
    8.0009    2.0122   -2.3964 O   0  0  0  0  0
    6.7340    0.2266   -3.1909 C   0  0  0  0  0
    5.7171   -0.1538   -4.0462 C   0  0  0  0  0
    6.0737   -1.4002   -4.6328 C   0  0  0  0  0
    5.4875   -2.2284   -5.6087 C   0  0  0  0  0
    6.1191   -3.4280   -5.9571 C   0  0  0  0  0
    7.3081   -3.8111   -5.3395 C   0  0  0  0  0
    7.9147   -2.9991   -4.3763 C   0  0  0  0  0
    7.2820   -1.7921   -4.0583 C   0  0  0  0  0
    7.6693   -0.7825   -3.2096 N   0  0  0  0  0
    4.0054    0.8405    4.3596 H   0  0  0  0  0
    2.4883   -0.0605    4.5121 H   0  0  0  0  0
    2.4785    1.7133    4.3757 H   0  0  0  0  0
    3.5027   -0.2126    2.2335 H   0  0  0  0  0
    1.0849   -0.5123    2.3919 H   0  0  0  0  0
    1.5258    0.2441    0.8798 H   0  0  0  0  0
    0.9079    2.5821    0.3790 H   0  0  0  0  0
   -0.6816    4.4183    0.8317 H   0  0  0  0  0
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   -0.1772    0.7460    4.1310 H   0  0  0  0  0
    3.1678    2.7333    2.1822 H   0  0  0  0  0
    4.4765    4.2230    2.0133 H   0  0  0  0  0
    5.5547    6.2496    1.1953 H   0  0  0  0  0
    6.7460    6.2500   -0.9798 H   0  0  0  0  0
    6.8641    4.2037   -2.3250 H   0  0  0  0  0
    5.1843    1.0541   -1.4504 H   0  0  0  0  0
    4.8406    0.4367   -4.2834 H   0  0  0  0  0
    4.5620   -1.9361   -6.0954 H   0  0  0  0  0
    5.6756   -4.0658   -6.7176 H   0  0  0  0  0
    7.7780   -4.7518   -5.6173 H   0  0  0  0  0
    8.8464   -3.2944   -3.9053 H   0  0  0  0  0
    8.5294   -0.7661   -2.6782 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
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 13 18  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 44  1  0  0  0
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 19 20  1  0  0  0
 19 47  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 30  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
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 27 28  1  0  0  0
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 30 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL469974

>  <PubChem CID>
44592009

>  <Formula>
C25H23N3O2

>  <Molecular Weight>
397.478000

>  <IUPAC Name>
N-[2-(1-phenylpropan-2-ylcarbamoyl)phenyl]-1H-indole-2-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N3

>  <Isomeric SMILES>
CC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4N3

>  <InChI Std. ID>
InChI=1S/C25H23N3O2/c1-17(15-18-9-3-2-4-10-18)26-24(29)20-12-6-8-14-22(20)28-25(30)23-16-19-11-5-7-13-21(19)27-23/h2-14,16-17,27H,15H2,1H3,(H,26,29)(H,28,30)

>  <InChI Key>
BPAGTWOGXJYUAR-UHFFFAOYSA-N

