
 CHEMBL368292

 60 65  0  0  0  0  0  0  0  0999 V2000
   10.3012   -1.0566    2.2423 C   0  0  0  0  0
   10.2764    0.0095    1.2071 C   0  0  0  0  0
   10.1047    1.2940    1.4458 N   0  0  0  0  0
   10.1256    1.9150    0.2204 C   0  0  0  0  0
   10.3130    0.9874   -0.8008 C   0  0  0  0  0
   10.4059   -0.2231   -0.1486 N   0  0  0  0  0
   10.6271   -1.5163   -0.7808 C   0  0  0  0  0
    9.3728   -2.3377   -0.9990 C   0  0  0  0  0
    8.0890   -1.9222   -0.6158 C   0  0  0  0  0
    6.9789   -2.7570   -0.7880 C   0  0  0  0  0
    7.1130   -4.0027   -1.4066 C   0  0  0  0  0
    8.3926   -4.4266   -1.7892 C   0  0  0  0  0
    9.5078   -3.6063   -1.5856 C   0  0  0  0  0
    5.9664   -4.9375   -1.6210 C   0  0  0  0  0
    6.2194   -6.1419   -1.6411 O   0  0  0  0  0
    4.5978   -4.4400   -1.7999 C   0  0  0  0  0
    4.1977   -3.1587   -2.1486 C   0  0  0  0  0
    2.8308   -3.1109   -2.1523 N   0  0  0  0  0
    2.3119   -4.3585   -1.9096 C   0  0  0  0  0
    3.3880   -5.2195   -1.7078 C   0  0  0  0  0
    3.1025   -6.5797   -1.4641 C   0  0  0  0  0
    1.7703   -7.0126   -1.4315 C   0  0  0  0  0
    0.7198   -6.1138   -1.6231 C   0  0  0  0  0
    0.9716   -4.7622   -1.8730 C   0  0  0  0  0
    0.0281   -3.7952   -2.0513 O   0  0  0  0  0
   -1.2051   -4.2169   -2.6269 C   0  0  0  0  0
   -1.8324   -2.9973   -3.2558 C   0  0  0  0  0
   -1.5049   -2.6368   -4.5714 C   0  0  0  0  0
   -2.0488   -1.4885   -5.1479 C   0  0  0  0  0
   -2.9170   -0.6839   -4.4127 C   0  0  0  0  0
   -3.2378   -1.0238   -3.0992 C   0  0  0  0  0
   -2.6948   -2.1726   -2.5205 C   0  0  0  0  0
   10.3633    1.3659   -2.1442 C   0  0  0  0  0
   10.2181    2.7289   -2.3702 C   0  0  0  0  0
   10.0360    3.6646   -1.4106 N   0  0  0  0  0
    9.9882    3.2661   -0.1108 C   0  0  0  0  0
    9.6658   -1.9024    1.9661 H   0  0  0  0  0
    9.9300   -0.6661    3.1954 H   0  0  0  0  0
   11.3221   -1.4174    2.3948 H   0  0  0  0  0
   11.3280   -2.0682   -0.1435 H   0  0  0  0  0
   11.1231   -1.3380   -1.7414 H   0  0  0  0  0
    7.9203   -0.9511   -0.1526 H   0  0  0  0  0
    6.0207   -2.4146   -0.4070 H   0  0  0  0  0
    8.5294   -5.4095   -2.2387 H   0  0  0  0  0
   10.4880   -3.9764   -1.8829 H   0  0  0  0  0
    4.7577   -2.2643   -2.3848 H   0  0  0  0  0
    2.2585   -2.2978   -2.3413 H   0  0  0  0  0
    3.9100   -7.2915   -1.3092 H   0  0  0  0  0
    1.5570   -8.0629   -1.2464 H   0  0  0  0  0
   -0.2967   -6.4904   -1.5603 H   0  0  0  0  0
   -1.8609   -4.6224   -1.8472 H   0  0  0  0  0
   -1.0599   -4.9846   -3.3982 H   0  0  0  0  0
   -0.8145   -3.2473   -5.1497 H   0  0  0  0  0
   -1.7893   -1.2182   -6.1682 H   0  0  0  0  0
   -3.3376    0.2126   -4.8606 H   0  0  0  0  0
   -3.9057   -0.3892   -2.5225 H   0  0  0  0  0
   -2.9396   -2.4150   -1.4887 H   0  0  0  0  0
   10.5020    0.6651   -2.9561 H   0  0  0  0  0
   10.2443    3.1221   -3.3840 H   0  0  0  0  0
    9.8391    4.0350    0.6365 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5 33  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 44  1  0  0  0
 13 45  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
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 17 46  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 53  1  0  0  0
 29 30  2  0  0  0
 29 54  1  0  0  0
 30 31  1  0  0  0
 30 55  1  0  0  0
 31 32  2  0  0  0
 31 56  1  0  0  0
 32 57  1  0  0  0
 33 34  2  0  0  0
 33 58  1  0  0  0
 34 35  1  0  0  0
 34 59  1  0  0  0
 35 36  2  0  0  0
 36 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL368292

>  <PubChem CID>
10695777

>  <Formula>
C30H24N4O2

>  <Molecular Weight>
472.548000

>  <IUPAC Name>
[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]-(7-phenylmethoxy-1H-indol-3-yl)methanone

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CNC5=C4C=CC=C5OCC6=CC=CC=C6)C=CN=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)C4=CNC5=C4C=CC=C5OCC6=CC=CC=C6)C=CN=C2

>  <InChI Std. ID>
InChI=1S/C30H24N4O2/c1-20-33-26-17-31-15-14-27(26)34(20)18-21-10-12-23(13-11-21)30(35)25-16-32-29-24(25)8-5-9-28(29)36-19-22-6-3-2-4-7-22/h2-17,32H,18-19H2,1H3

>  <InChI Key>
CBSICGDOCZKFSE-UHFFFAOYSA-N

