
 CHEMBL1788190

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.5807   -0.1618    2.3058 C   0  0  0  0  0
    2.5774   -0.0750    1.1566 C   0  0  0  0  0
    3.1354    1.3508    1.0190 C   0  0  0  0  0
    4.1916    1.5258   -0.0049 N   0  0  0  0  0
    3.7305    1.0927   -1.3415 C   0  0  0  0  0
    4.7899    1.1577   -2.4529 C   0  0  0  0  0
    4.2735    0.5291   -3.7405 C   0  0  0  0  0
    4.7725    2.9020   -0.0055 C   0  0  0  0  0
    5.4797    3.2558    1.3147 C   0  0  0  0  0
    6.2858    4.5449    1.1366 C   0  0  0  0  0
    5.4419    5.6845    0.6172 C   0  0  0  0  0
    4.2499    5.4353   -0.1002 C   0  0  0  0  0
    3.7813    4.0263   -0.3838 C   0  0  0  0  0
    3.4526    6.5476   -0.4718 C   0  0  0  0  0
    3.8928    7.8375   -0.1937 C   0  0  0  0  0
    5.1086    8.1001    0.4394 C   0  0  0  0  0
    5.8683    7.0006    0.8469 C   0  0  0  0  0
    2.9226    8.7015   -0.6436 N   0  0  0  0  0
    1.8346    8.0132   -1.1350 C   0  0  0  0  0
    2.1733    6.6735   -1.0904 C   0  0  0  0  0
    0.6423    8.6951   -1.5681 C   0  0  0  0  0
    0.5425    9.9148   -1.6213 O   0  0  0  0  0
   -0.4178    7.9017   -1.8916 N   0  0  0  0  0
    1.1555   -1.1685    2.3638 H   0  0  0  0  0
    0.7565    0.5453    2.1627 H   0  0  0  0  0
    2.0623    0.0614    3.2628 H   0  0  0  0  0
    2.0519   -0.3768    0.2447 H   0  0  0  0  0
    3.3927   -0.7871    1.3259 H   0  0  0  0  0
    3.5398    1.6202    2.0004 H   0  0  0  0  0
    2.2902    2.0194    0.8230 H   0  0  0  0  0
    2.8433    1.6618   -1.6462 H   0  0  0  0  0
    3.4298    0.0413   -1.2854 H   0  0  0  0  0
    5.6975    0.6307   -2.1358 H   0  0  0  0  0
    5.0656    2.1938   -2.6742 H   0  0  0  0  0
    4.0061   -0.5213   -3.5871 H   0  0  0  0  0
    5.0419    0.5733   -4.5185 H   0  0  0  0  0
    3.3884    1.0598   -4.1058 H   0  0  0  0  0
    5.5809    2.9097   -0.7474 H   0  0  0  0  0
    6.1569    2.4487    1.6189 H   0  0  0  0  0
    4.7532    3.3998    2.1239 H   0  0  0  0  0
    7.1154    4.3774    0.4388 H   0  0  0  0  0
    6.7193    4.8174    2.1066 H   0  0  0  0  0
    2.8395    3.9091    0.1615 H   0  0  0  0  0
    3.5476    3.9510   -1.4532 H   0  0  0  0  0
    5.4412    9.1132    0.6397 H   0  0  0  0  0
    6.8048    7.1824    1.3719 H   0  0  0  0  0
    2.9592    9.7098   -0.5713 H   0  0  0  0  0
    1.5555    5.8504   -1.4218 H   0  0  0  0  0
   -0.4187    6.9057   -1.7405 H   0  0  0  0  0
   -1.2879    8.3638   -2.1140 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
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 21 23  1  0  0  0
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 23 49  1  0  0  0
 23 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1788190

>  <PubChem CID>
14950448

>  <Formula>
C19H27N3O

>  <Molecular Weight>
313.445000

>  <IUPAC Name>
(8S)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C1)C3=C(C=C2)NC(=C3)C(=O)N

>  <Isomeric SMILES>
CCCN(CCC)[C@H]1CCC2=C(C1)C3=C(C=C2)NC(=C3)C(=O)N

>  <InChI Std. ID>
InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m0/s1

>  <InChI Key>
AJMVNIXLWRBDLU-AWEZNQCLSA-N

