
 CHEMBL359126

 47 50  0  0  0  0  0  0  0  0999 V2000
    2.0088   -0.4833   -1.5689 C   0  0  0  0  0
    1.9281    0.8842   -1.3363 C   0  0  0  0  0
    0.7451    1.4537   -0.8409 C   0  0  0  0  0
   -0.3706    0.6323   -0.5637 C   0  0  0  0  0
   -1.6777    0.8612   -0.0476 C   0  0  0  0  0
   -2.3113   -0.3538    0.0548 C   0  0  0  0  0
   -1.4532   -1.3254   -0.3999 N   0  0  0  0  0
   -0.2568   -0.7489   -0.7891 C   0  0  0  0  0
    0.9227   -1.3198   -1.3011 C   0  0  0  0  0
   -1.7362   -2.7569   -0.3422 C   0  0  0  0  0
   -2.8718   -3.1559   -1.2532 C   0  0  0  0  0
   -2.6459   -3.4026   -2.6165 C   0  0  0  0  0
   -3.7010   -3.7770   -3.4584 C   0  0  0  0  0
   -4.9960   -3.8969   -2.9440 C   0  0  0  0  0
   -5.2296   -3.6446   -1.5901 C   0  0  0  0  0
   -4.1751   -3.2796   -0.7502 C   0  0  0  0  0
   -6.3463   -4.3525   -3.9201 Cl  0  0  0  0  0
   -3.3333   -4.0826   -5.1189 Cl  0  0  0  0  0
    0.6739    2.9063   -0.5990 C   0  0  0  0  0
    1.7560    3.6164   -0.5236 N   0  0  0  0  0
    1.5876    4.9530   -0.3422 N   0  0  0  0  0
    2.6126    5.8140   -0.0005 C   0  0  0  0  0
    2.3774    6.9999    0.2289 O   0  0  0  0  0
    4.0027    5.2986    0.1601 C   0  0  0  0  0
    4.7875    5.8478    1.1827 C   0  0  0  0  0
    6.0786    5.3678    1.4066 C   0  0  0  0  0
    6.5952    4.3441    0.6059 C   0  0  0  0  0
    5.8360    3.8207   -0.4393 C   0  0  0  0  0
    4.5476    4.3100   -0.6699 C   0  0  0  0  0
    7.8493    3.8533    0.8442 O   0  0  0  0  0
    7.0039    6.0547    2.6923 Cl  0  0  0  0  0
    2.9312   -0.9082   -1.9589 H   0  0  0  0  0
    2.7910    1.5113   -1.5470 H   0  0  0  0  0
   -2.1072    1.8103    0.2456 H   0  0  0  0  0
   -3.2988   -0.6016    0.4215 H   0  0  0  0  0
    1.0108   -2.3865   -1.4831 H   0  0  0  0  0
   -1.9667   -2.9935    0.7035 H   0  0  0  0  0
   -0.8331   -3.3188   -0.5990 H   0  0  0  0  0
   -1.6424   -3.3048   -3.0273 H   0  0  0  0  0
   -6.2338   -3.7306   -1.1806 H   0  0  0  0  0
   -4.3818   -3.0880    0.3018 H   0  0  0  0  0
   -0.3264    3.3556   -0.4740 H   0  0  0  0  0
    0.6573    5.3570   -0.3574 H   0  0  0  0  0
    4.3830    6.6381    1.8110 H   0  0  0  0  0
    6.2239    3.0350   -1.0807 H   0  0  0  0  0
    3.9715    3.9089   -1.4996 H   0  0  0  0  0
    8.0310    3.1202    0.2352 H   0  0  0  0  0
  1  2  2  0  0  0
  1  9  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 44  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 45  1  0  0  0
 29 46  1  0  0  0
 30 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL359126

>  <PubChem CID>
9869430

>  <Formula>
C23H16Cl3N3O2

>  <Molecular Weight>
472.750000

>  <IUPAC Name>
3-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=C2C=CN(C2=C1)CC3=CC(=C(C=C3)Cl)Cl)C=NNC(=O)C4=CC(=C(C=C4)O)Cl

>  <Isomeric SMILES>
C1=CC(=C2C=CN(C2=C1)CC3=CC(=C(C=C3)Cl)Cl)/C=N/NC(=O)C4=CC(=C(C=C4)O)Cl

>  <InChI Std. ID>
InChI=1S/C23H16Cl3N3O2/c24-18-6-4-14(10-19(18)25)13-29-9-8-17-16(2-1-3-21(17)29)12-27-28-23(31)15-5-7-22(30)20(26)11-15/h1-12,30H,13H2,(H,28,31)/b27-12+

>  <InChI Key>
BIVBCXDPVMKWPL-KKMKTNMSSA-N

