
 CHEMBL100377

 54 56  0  0  0  0  0  0  0  0999 V2000
    5.8818    0.9261   -4.3485 C   0  0  0  0  0
    5.2232    1.0794   -2.9864 C   0  0  0  0  0
    4.9386    2.5478   -2.6693 C   0  0  0  0  0
    4.3827    2.7487   -1.3274 N   0  0  0  0  0
    2.9218    2.7454   -1.1934 C   0  0  0  0  0
    2.3709    1.3963   -0.7260 C   0  0  0  0  0
    0.8564    1.4307   -0.5954 C   0  0  0  0  0
    5.1333    2.8498   -0.1613 C   0  0  0  0  0
    4.6068    3.0245    0.9429 O   0  0  0  0  0
    6.6414    2.7470   -0.2412 C   0  0  0  0  0
    7.2865    4.1024    0.0402 C   0  0  0  0  0
    8.7823    3.9827    0.1218 C   0  0  0  0  0
    9.5805    3.9340    1.2639 C   0  0  0  0  0
   10.8771    3.7585    0.8264 N   0  0  0  0  0
   10.9516    3.7463   -0.5431 C   0  0  0  0  0
    9.6535    3.8984   -1.0176 C   0  0  0  0  0
    9.4472    3.9277   -2.4130 C   0  0  0  0  0
   10.5464    3.7983   -3.2669 C   0  0  0  0  0
   11.8343    3.6388   -2.7638 C   0  0  0  0  0
   12.0622    3.6093   -1.3847 C   0  0  0  0  0
   10.2967    3.8333   -4.9710 Cl  0  0  0  0  0
    9.2720    4.0175    2.6980 C   0  0  0  0  0
   10.1137    4.7405    3.5592 C   0  0  0  0  0
    9.8436    4.8193    4.9305 C   0  0  0  0  0
    8.7220    4.1821    5.4512 C   0  0  0  0  0
    7.8727    3.4659    4.6144 C   0  0  0  0  0
    8.1511    3.3800    3.2458 C   0  0  0  0  0
    8.3860    4.2817    7.1350 Cl  0  0  0  0  0
    6.1007   -0.1275   -4.5472 H   0  0  0  0  0
    6.8223    1.4836   -4.3959 H   0  0  0  0  0
    5.2238    1.2916   -5.1431 H   0  0  0  0  0
    5.8706    0.6369   -2.2210 H   0  0  0  0  0
    4.2916    0.5039   -2.9769 H   0  0  0  0  0
    4.2409    2.9645   -3.4049 H   0  0  0  0  0
    5.8547    3.1404   -2.7594 H   0  0  0  0  0
    2.4714    3.0347   -2.1494 H   0  0  0  0  0
    2.6429    3.5208   -0.4689 H   0  0  0  0  0
    2.8077    1.1219    0.2411 H   0  0  0  0  0
    2.6494    0.6061   -1.4303 H   0  0  0  0  0
    0.5400    2.2035    0.1120 H   0  0  0  0  0
    0.4854    0.4668   -0.2337 H   0  0  0  0  0
    0.3853    1.6345   -1.5620 H   0  0  0  0  0
    6.9924    2.3444   -1.1917 H   0  0  0  0  0
    6.9468    2.0051    0.5072 H   0  0  0  0  0
    6.8870    4.5418    0.9613 H   0  0  0  0  0
    7.0196    4.8086   -0.7568 H   0  0  0  0  0
   11.6726    3.6472    1.4383 H   0  0  0  0  0
    8.4487    4.0540   -2.8182 H   0  0  0  0  0
   12.6769    3.5369   -3.4437 H   0  0  0  0  0
   13.0653    3.4858   -0.9887 H   0  0  0  0  0
   10.9817    5.2690    3.1729 H   0  0  0  0  0
   10.5070    5.3847    5.5793 H   0  0  0  0  0
    6.9915    2.9696    5.0136 H   0  0  0  0  0
    7.4766    2.8023    2.6207 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
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 11 12  1  0  0  0
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 11 46  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
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 14 47  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 48  1  0  0  0
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 18 21  1  0  0  0
 19 20  2  0  0  0
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 22 23  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL100377

>  <PubChem CID>
10024964

>  <Formula>
C23H26Cl2N2O

>  <Molecular Weight>
417.374000

>  <IUPAC Name>
3-[5-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylpropanamide

>  <XlogP>
6.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN(CCC)C(=O)CCC1=C(NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CCCN(CCC)C(=O)CCC1=C(NC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C23H26Cl2N2O/c1-3-13-27(14-4-2)22(28)12-10-19-20-15-18(25)9-11-21(20)26-23(19)16-5-7-17(24)8-6-16/h5-9,11,15,26H,3-4,10,12-14H2,1-2H3

>  <InChI Key>
CEQBAMJVNWVQBR-UHFFFAOYSA-N

