
 CHEMBL3633664

 53 56  0  0  0  0  0  0  0  0999 V2000
    2.0092    1.7425   -5.8677 C   0  0  0  0  0
    1.8384    1.3831   -4.4580 N   0  0  0  0  0
    2.8141    2.1076   -3.5933 C   0  0  0  0  0
    2.6864    3.6446   -3.5152 C   0  0  0  0  0
    1.8728    4.2615   -4.2055 O   0  0  0  0  0
    3.5905    4.3729   -2.5990 C   0  0  0  0  0
    3.2787    5.5752   -1.9494 C   0  0  0  0  0
    4.3747    5.9115   -1.1877 N   0  0  0  0  0
    5.4235    5.0623   -1.4060 C   0  0  0  0  0
    6.7309    5.1229   -0.9047 C   0  0  0  0  0
    7.6278    4.1323   -1.3023 C   0  0  0  0  0
    7.2220    3.1182   -2.1585 C   0  0  0  0  0
    5.9073    3.0736   -2.6446 C   0  0  0  0  0
    4.9696    4.0650   -2.2684 C   0  0  0  0  0
    2.0882    6.4422   -1.9257 C   0  0  0  0  0
    2.2390    7.8406   -1.9115 C   0  0  0  0  0
    1.1291    8.6878   -1.8640 C   0  0  0  0  0
   -0.1544    8.1489   -1.8418 C   0  0  0  0  0
   -0.3219    6.7654   -1.8587 C   0  0  0  0  0
    0.7912    5.9180   -1.8882 C   0  0  0  0  0
    0.4265    1.5456   -4.0545 C   0  0  0  0  0
    0.1338    0.9408   -2.6710 C   0  0  0  0  0
    0.5600    1.4868   -1.6444 O   0  0  0  0  0
   -0.6376   -0.2007   -2.5998 N   0  0  0  0  0
   -1.2013   -0.9615   -3.7056 C   0  0  0  0  0
   -1.8659   -2.1669   -3.0486 C   0  0  0  0  0
   -2.2132   -1.6571   -1.6570 C   0  0  0  0  0
   -1.0241   -0.7704   -1.3221 C   0  0  0  0  0
    1.4447    1.0504   -6.5027 H   0  0  0  0  0
    3.0575    1.6526   -6.1724 H   0  0  0  0  0
    1.6698    2.7575   -6.1009 H   0  0  0  0  0
    3.7989    1.8739   -4.0023 H   0  0  0  0  0
    2.7979    1.6980   -2.5788 H   0  0  0  0  0
    4.4163    6.7142   -0.5774 H   0  0  0  0  0
    7.0466    5.9222   -0.2418 H   0  0  0  0  0
    8.6526    4.1596   -0.9433 H   0  0  0  0  0
    7.9330    2.3548   -2.4666 H   0  0  0  0  0
    5.6557    2.2742   -3.3299 H   0  0  0  0  0
    3.2280    8.2925   -1.9573 H   0  0  0  0  0
    1.2679    9.7667   -1.8552 H   0  0  0  0  0
   -1.0195    8.8042   -1.8204 H   0  0  0  0  0
   -1.3204    6.3410   -1.8516 H   0  0  0  0  0
    0.6286    4.8428   -1.8895 H   0  0  0  0  0
   -0.2127    1.0599   -4.8002 H   0  0  0  0  0
    0.1041    2.5913   -4.0309 H   0  0  0  0  0
   -0.4172   -1.2518   -4.4133 H   0  0  0  0  0
   -1.9382   -0.3346   -4.2144 H   0  0  0  0  0
   -2.7403   -2.5195   -3.6050 H   0  0  0  0  0
   -1.1528   -2.9988   -2.9718 H   0  0  0  0  0
   -3.1285   -1.0551   -1.7013 H   0  0  0  0  0
   -2.3638   -2.4594   -0.9286 H   0  0  0  0  0
   -1.2647    0.0049   -0.5891 H   0  0  0  0  0
   -0.1779   -1.3633   -0.9520 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 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 28  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
 27 28  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633664

>  <PubChem CID>
17521846

>  <Formula>
C23H25N3O2

>  <Molecular Weight>
375.472000

>  <IUPAC Name>
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-(2-phenyl-1H-indol-3-yl)ethanone

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)CC(=O)N4CCCC4

>  <Isomeric SMILES>
CN(CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)CC(=O)N4CCCC4

>  <InChI Std. ID>
InChI=1S/C23H25N3O2/c1-25(16-21(28)26-13-7-8-14-26)15-20(27)22-18-11-5-6-12-19(18)24-23(22)17-9-3-2-4-10-17/h2-6,9-12,24H,7-8,13-16H2,1H3

>  <InChI Key>
HDLUCMSIMDMSQH-UHFFFAOYSA-N

