
 CHEMBL444847

 74 77  0  0  0  0  0  0  0  0999 V2000
    6.7417    8.6252   -6.0256 C   0  0  0  0  0
    6.2399    7.4323   -5.2279 C   0  0  0  0  0
    6.7590    7.4596   -3.7901 C   0  0  0  0  0
    6.2277    6.2719   -2.9852 C   0  0  0  0  0
    6.7580    6.2856   -1.5493 C   0  0  0  0  0
    6.3873    5.0803   -0.7994 N   0  0  0  0  0
    4.9864    4.9774   -0.3713 C   0  0  0  0  0
    4.1183    4.0770   -1.2560 C   0  0  0  0  0
    2.6852    4.0210   -0.7202 C   0  0  0  0  0
    1.7998    3.1114   -1.5703 C   0  0  0  0  0
    0.3783    3.0614   -1.0314 C   0  0  0  0  0
    7.2254    4.0188   -0.4639 C   0  0  0  0  0
    6.7482    2.9490   -0.0611 O   0  0  0  0  0
    8.7607    4.0997   -0.6319 C   0  0  0  0  0
    9.1723    3.9341   -2.1049 C   0  0  0  0  0
   10.6583    3.7819   -2.2627 C   0  0  0  0  0
   11.5326    4.7302   -2.7589 C   0  0  0  0  0
   12.8035    4.2269   -2.6766 N   0  0  0  0  0
   12.7815    2.9613   -2.1404 C   0  0  0  0  0
   13.8354    2.0844   -1.8563 C   0  0  0  0  0
   13.5141    0.8430   -1.3003 C   0  0  0  0  0
   12.1907    0.4925   -1.0459 C   0  0  0  0  0
   11.1493    1.3811   -1.3363 C   0  0  0  0  0
   11.4468    2.6447   -1.8889 C   0  0  0  0  0
    9.3397    5.2917   -0.0038 N   0  0  0  0  0
    9.4868    5.6049    1.3175 C   0  0  0  0  0
    9.7166    6.7882    1.5806 O   0  0  0  0  0
    9.3349    4.6219    2.3619 C   0  0  0  0  0
    9.5763    3.2601    2.4393 C   0  0  0  0  0
    9.2763    2.8142    3.7572 C   0  0  0  0  0
    9.3113    1.5619    4.3995 C   0  0  0  0  0
    8.9646    1.4782    5.7527 C   0  0  0  0  0
    8.5954    2.6188    6.4632 C   0  0  0  0  0
    8.5571    3.8730    5.8453 C   0  0  0  0  0
    8.9004    3.9351    4.4901 C   0  0  0  0  0
    8.9661    5.0080    3.6357 N   0  0  0  0  0
    6.3621    8.5820   -7.0513 H   0  0  0  0  0
    7.8355    8.6372   -6.0683 H   0  0  0  0  0
    6.4045    9.5657   -5.5784 H   0  0  0  0  0
    6.5624    6.5081   -5.7216 H   0  0  0  0  0
    5.1435    7.4350   -5.2294 H   0  0  0  0  0
    6.4539    8.3952   -3.3055 H   0  0  0  0  0
    7.8556    7.4409   -3.7968 H   0  0  0  0  0
    6.5119    5.3338   -3.4772 H   0  0  0  0  0
    5.1328    6.3105   -2.9775 H   0  0  0  0  0
    6.3722    7.1557   -1.0055 H   0  0  0  0  0
    7.8370    6.4017   -1.5853 H   0  0  0  0  0
    4.5592    5.9859   -0.3200 H   0  0  0  0  0
    4.9800    4.5865    0.6546 H   0  0  0  0  0
    4.5334    3.0640   -1.2953 H   0  0  0  0  0
    4.1094    4.4469   -2.2862 H   0  0  0  0  0
    2.2613    5.0325   -0.7018 H   0  0  0  0  0
    2.6949    3.6569    0.3147 H   0  0  0  0  0
    2.2142    2.0969   -1.5859 H   0  0  0  0  0
    1.7801    3.4712   -2.6055 H   0  0  0  0  0
    0.3608    2.6798   -0.0051 H   0  0  0  0  0
   -0.2390    2.4017   -1.6493 H   0  0  0  0  0
   -0.0781    4.0563   -1.0354 H   0  0  0  0  0
    9.1500    3.2362   -0.0957 H   0  0  0  0  0
    8.8423    4.7875   -2.7063 H   0  0  0  0  0
    8.6756    3.0536   -2.5330 H   0  0  0  0  0
   11.3635    5.7259   -3.1460 H   0  0  0  0  0
   13.6440    4.7147   -2.9541 H   0  0  0  0  0
   14.8683    2.3544   -2.0519 H   0  0  0  0  0
   14.3105    0.1410   -1.0625 H   0  0  0  0  0
   11.9621   -0.4787   -0.6141 H   0  0  0  0  0
   10.1224    1.0944   -1.1289 H   0  0  0  0  0
    9.5581    6.0790   -0.5967 H   0  0  0  0  0
    9.9603    2.6253    1.6536 H   0  0  0  0  0
    9.6015    0.6706    3.8518 H   0  0  0  0  0
    8.9873    0.5132    6.2526 H   0  0  0  0  0
    8.3346    2.5338    7.5155 H   0  0  0  0  0
    8.2744    4.7600    6.4017 H   0  0  0  0  0
    8.7800    5.9679    3.8928 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  3  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  1  0  0  0
  3 42  1  0  0  0
  3 43  1  0  0  0
  4  5  1  0  0  0
  4 44  1  0  0  0
  4 45  1  0  0  0
  5  6  1  0  0  0
  5 46  1  0  0  0
  5 47  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 48  1  0  0  0
  7 49  1  0  0  0
  8  9  1  0  0  0
  8 50  1  0  0  0
  8 51  1  0  0  0
  9 10  1  0  0  0
  9 52  1  0  0  0
  9 53  1  0  0  0
 10 11  1  0  0  0
 10 54  1  0  0  0
 10 55  1  0  0  0
 11 56  1  0  0  0
 11 57  1  0  0  0
 11 58  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 25  1  0  0  0
 14 15  1  0  0  0
 14 59  1  0  0  0
 15 16  1  0  0  0
 15 60  1  0  0  0
 15 61  1  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 62  1  0  0  0
 18 19  1  0  0  0
 18 63  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 64  1  0  0  0
 21 22  2  0  0  0
 21 65  1  0  0  0
 22 23  1  0  0  0
 22 66  1  0  0  0
 23 24  2  0  0  0
 23 67  1  0  0  0
 25 26  1  0  0  0
 25 68  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 36  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 29 69  1  0  0  0
 30 35  1  0  0  0
 30 31  2  0  0  0
 31 32  1  0  0  0
 31 70  1  0  0  0
 32 33  2  0  0  0
 32 71  1  0  0  0
 33 34  1  0  0  0
 33 72  1  0  0  0
 34 35  2  0  0  0
 34 73  1  0  0  0
 35 36  1  0  0  0
 36 74  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL444847

>  <PubChem CID>
15104601

>  <Formula>
C30H38N4O2

>  <Molecular Weight>
486.660000

>  <IUPAC Name>
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCN(CCCCC)C(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4N3

>  <Isomeric SMILES>
CCCCCN(CCCCC)C(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=CC=CC=C4N3

>  <InChI Std. ID>
InChI=1S/C30H38N4O2/c1-3-5-11-17-34(18-12-6-4-2)30(36)28(20-23-21-31-26-16-10-8-14-24(23)26)33-29(35)27-19-22-13-7-9-15-25(22)32-27/h7-10,13-16,19,21,28,31-32H,3-6,11-12,17-18,20H2,1-2H3,(H,33,35)/t28-/m1/s1

>  <InChI Key>
CUHBJSYSJYOUJS-MUUNZHRXSA-N

