
 CHEMBL383396

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.7629    0.4220   -2.0618 C   0  0  0  0  0
    2.8222   -0.5406   -2.5728 C   0  0  0  0  0
    2.5269   -1.9562   -2.1455 C   0  0  0  0  0
    2.8303   -2.9297   -2.8308 O   0  0  0  0  0
    2.0086   -2.1115   -0.8887 N   0  0  0  0  0
    1.6209   -1.0514   -0.0604 C   0  0  0  0  0
    1.5532    0.2591   -0.5729 C   0  0  0  0  0
    1.1431    1.3239    0.2634 C   0  0  0  0  0
    0.8277    1.0208    1.5999 C   0  0  0  0  0
    0.8877   -0.2860    2.0931 C   0  0  0  0  0
    1.2783   -1.3261    1.2599 C   0  0  0  0  0
    1.0416    2.6287   -0.2460 N   0  0  0  0  0
    2.3448    3.3219   -0.3638 C   0  0  0  0  0
    2.1662    4.5965   -1.2247 C   0  0  0  0  0
    1.1437    5.5529   -0.7326 N   0  0  0  0  0
   -0.1250    4.8068   -0.5213 C   0  0  0  0  0
   -0.0028    3.5099    0.3204 C   0  0  0  0  0
    1.5490    6.2732    0.4839 C   0  0  0  0  0
    2.7865    7.1669    0.3173 C   0  0  0  0  0
    2.6321    8.2150   -0.7888 C   0  0  0  0  0
    3.8915    9.0028   -0.9814 C   0  0  0  0  0
    4.2383   10.1718   -0.3326 C   0  0  0  0  0
    5.4703   10.5641   -0.7823 N   0  0  0  0  0
    5.9438    9.6729   -1.7162 C   0  0  0  0  0
    7.1468    9.6695   -2.4329 C   0  0  0  0  0
    7.3621    8.6219   -3.3334 C   0  0  0  0  0
    6.4109    7.6201   -3.5087 C   0  0  0  0  0
    5.2142    7.6388   -2.7830 C   0  0  0  0  0
    4.9721    8.6836   -1.8669 C   0  0  0  0  0
    0.8053    0.2266   -2.5609 H   0  0  0  0  0
    2.0645    1.4364   -2.3329 H   0  0  0  0  0
    2.8622   -0.5008   -3.6665 H   0  0  0  0  0
    3.8128   -0.2750   -2.1843 H   0  0  0  0  0
    1.9304   -3.0657   -0.5631 H   0  0  0  0  0
    0.5271    1.8027    2.2906 H   0  0  0  0  0
    0.6261   -0.4865    3.1286 H   0  0  0  0  0
    1.3171   -2.3387    1.6506 H   0  0  0  0  0
    3.0997    2.6875   -0.8414 H   0  0  0  0  0
    2.7279    3.5819    0.6308 H   0  0  0  0  0
    3.1333    5.0892   -1.3623 H   0  0  0  0  0
    1.8619    4.2881   -2.2346 H   0  0  0  0  0
   -0.8791    5.4646   -0.0717 H   0  0  0  0  0
   -0.5193    4.5395   -1.5106 H   0  0  0  0  0
    0.2323    3.7788    1.3573 H   0  0  0  0  0
   -0.9723    2.9970    0.3121 H   0  0  0  0  0
    1.7310    5.5838    1.3165 H   0  0  0  0  0
    0.7214    6.9233    0.7970 H   0  0  0  0  0
    3.6775    6.5526    0.1410 H   0  0  0  0  0
    2.9699    7.6789    1.2714 H   0  0  0  0  0
    1.8091    8.8960   -0.5382 H   0  0  0  0  0
    2.3629    7.7402   -1.7393 H   0  0  0  0  0
    3.7126   10.7552    0.4114 H   0  0  0  0  0
    5.9672   11.3885   -0.4759 H   0  0  0  0  0
    7.8891   10.4494   -2.3004 H   0  0  0  0  0
    8.2858    8.5912   -3.9068 H   0  0  0  0  0
    6.5961    6.8163   -4.2168 H   0  0  0  0  0
    4.4768    6.8556   -2.9298 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 37  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 29  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 23 24  1  0  0  0
 23 53  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 56  1  0  0  0
 28 29  2  0  0  0
 28 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL383396

>  <PubChem CID>
11710817

>  <Formula>
C24H28N4O

>  <Molecular Weight>
388.515000

>  <IUPAC Name>
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(=O)NC2=C1C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
C1CC(=O)NC2=C1C(=CC=C2)N3CCN(CC3)CCCC4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C24H28N4O/c29-24-11-10-20-22(26-24)8-3-9-23(20)28-15-13-27(14-16-28)12-4-5-18-17-25-21-7-2-1-6-19(18)21/h1-3,6-9,17,25H,4-5,10-16H2,(H,26,29)

>  <InChI Key>
GYEZZFVNEZKQSN-UHFFFAOYSA-N

