
 CHEMBL72945

 54 58  0  0  0  0  0  0  0  0999 V2000
    2.6070   -0.6214    1.3403 C   0  0  0  0  0
    3.2912   -0.3887    0.0242 C   0  0  0  0  0
    4.4480    0.4091   -0.0100 C   0  0  0  0  0
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    1.6271   -1.8122   -1.2778 C   0  0  0  0  0
    0.7227   -1.4847   -2.0328 O   0  0  0  0  0
    1.7153   -2.9633   -0.5123 N   0  0  0  0  0
    0.7613   -4.0005   -0.4267 C   0  0  0  0  0
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    1.0142   -5.0600    0.4590 C   0  0  0  0  0
   -2.1800   -7.1146    0.0378 C   0  0  0  0  0
   -2.6786   -7.4600   -1.0416 O   0  0  0  0  0
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   -3.8280   -9.7251    2.1926 C   0  0  0  0  0
   -4.7048  -10.8082    1.9764 C   0  0  0  0  0
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   -1.9779   -7.8992    4.9325 C   0  0  0  0  0
   -1.3944   -6.6597    5.1836 C   0  0  0  0  0
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   -1.8529   -6.0259    2.9114 C   0  0  0  0  0
   -2.3137   -7.3149    2.5998 C   0  0  0  0  0
    2.9173    0.1227    2.0826 H   0  0  0  0  0
    2.8563   -1.6110    1.7334 H   0  0  0  0  0
    1.5210   -0.5279    1.2371 H   0  0  0  0  0
    4.8560    0.8260    0.9095 H   0  0  0  0  0
    5.9653    1.3402   -1.2278 H   0  0  0  0  0
    5.0449    0.4695   -3.3611 H   0  0  0  0  0
    3.0315   -0.9723   -3.3409 H   0  0  0  0  0
    2.5605   -3.0853    0.0299 H   0  0  0  0  0
   -0.6372   -3.2655   -1.9190 H   0  0  0  0  0
   -2.2452   -5.0528   -1.6157 H   0  0  0  0  0
    0.3216   -6.9269    1.2947 H   0  0  0  0  0
    1.9248   -5.0797    1.0522 H   0  0  0  0  0
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   -3.0298   -9.4868    0.2582 H   0  0  0  0  0
   -5.1130  -10.9886    0.9835 H   0  0  0  0  0
   -5.7676  -12.4625    2.8529 H   0  0  0  0  0
   -4.8537  -12.0450    5.1211 H   0  0  0  0  0
   -3.3530  -10.1805    5.5257 H   0  0  0  0  0
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   -0.9999   -6.4328    6.1704 H   0  0  0  0  0
   -0.9940   -4.7071    4.3859 H   0  0  0  0  0
   -1.8684   -5.2272    2.1789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 10 40  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 13 14  2  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
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 16 44  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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 24 49  1  0  0  0
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 26 27  1  0  0  0
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 28 29  1  0  0  0
 28 51  1  0  0  0
 29 30  2  0  0  0
 29 52  1  0  0  0
 30 31  1  0  0  0
 30 53  1  0  0  0
 31 32  2  0  0  0
 31 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL72945

>  <PubChem CID>
15307971

>  <Formula>
C28H22N2O2

>  <Molecular Weight>
418.496000

>  <IUPAC Name>
2-methyl-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4C5=CC=CC=C53

>  <Isomeric SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4C5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C28H22N2O2/c1-19-8-2-4-10-23(19)27(31)29-22-16-14-20(15-17-22)28(32)30-18-21-9-3-5-11-24(21)25-12-6-7-13-26(25)30/h2-17H,18H2,1H3,(H,29,31)

>  <InChI Key>
AROSNMSHTYIBMN-UHFFFAOYSA-N

