
 CHEMBL3633650

 54 57  0  0  0  0  0  0  0  0999 V2000
    4.5349   -2.4532   -0.1961 C   0  0  0  0  0
    3.1008   -2.6415   -0.4797 N   0  0  0  0  0
    2.7028   -1.8273   -1.6747 C   0  0  0  0  0
    3.3085   -2.2845   -3.0177 C   0  0  0  0  0
    4.1876   -3.1469   -3.0713 O   0  0  0  0  0
    2.8095   -1.6472   -4.2594 C   0  0  0  0  0
    2.8670   -2.2229   -5.5383 C   0  0  0  0  0
    2.3186   -1.3084   -6.4093 N   0  0  0  0  0
    1.9678   -0.1480   -5.7777 C   0  0  0  0  0
    1.4400    1.0300   -6.3235 C   0  0  0  0  0
    1.1645    2.0846   -5.4555 C   0  0  0  0  0
    1.4000    1.9546   -4.0942 C   0  0  0  0  0
    1.9270    0.7657   -3.5691 C   0  0  0  0  0
    2.2305   -0.3245   -4.4204 C   0  0  0  0  0
    3.3330   -3.5224   -6.0565 C   0  0  0  0  0
    3.9702   -3.5969   -7.3082 C   0  0  0  0  0
    4.3796   -4.8233   -7.8402 C   0  0  0  0  0
    4.1730   -5.9965   -7.1204 C   0  0  0  0  0
    3.5502   -5.9409   -5.8767 C   0  0  0  0  0
    3.1217   -4.7149   -5.3556 C   0  0  0  0  0
    2.3514   -2.1736    0.7175 C   0  0  0  0  0
    0.8459   -2.4384    0.6191 C   0  0  0  0  0
    0.1038   -1.5375    0.2171 O   0  0  0  0  0
    0.3482   -3.6592    1.0329 N   0  0  0  0  0
    1.1436   -4.8698    1.2636 C   0  0  0  0  0
    0.5903   -5.6524    2.4615 C   0  0  0  0  0
   -0.8086   -5.9373    2.3018 O   0  0  0  0  0
   -1.5626   -4.7215    2.1697 C   0  0  0  0  0
   -1.0936   -3.9087    0.9600 C   0  0  0  0  0
    5.1755   -2.8458   -0.9884 H   0  0  0  0  0
    4.8187   -3.0007    0.7102 H   0  0  0  0  0
    4.7870   -1.3963   -0.0451 H   0  0  0  0  0
    2.9957   -0.7909   -1.4964 H   0  0  0  0  0
    1.6182   -1.8914   -1.8109 H   0  0  0  0  0
    2.1993   -1.4685   -7.3990 H   0  0  0  0  0
    1.2571    1.1284   -7.3891 H   0  0  0  0  0
    0.7619    3.0150   -5.8485 H   0  0  0  0  0
    1.1780    2.7834   -3.4257 H   0  0  0  0  0
    2.0932    0.7287   -2.4996 H   0  0  0  0  0
    4.1717   -2.6969   -7.8839 H   0  0  0  0  0
    4.8679   -4.8591   -8.8106 H   0  0  0  0  0
    4.5032   -6.9493   -7.5239 H   0  0  0  0  0
    3.3989   -6.8517   -5.3033 H   0  0  0  0  0
    2.6306   -4.7092   -4.3864 H   0  0  0  0  0
    2.4901   -1.0942    0.8704 H   0  0  0  0  0
    2.7249   -2.6486    1.6319 H   0  0  0  0  0
    2.2004   -4.6504    1.4161 H   0  0  0  0  0
    1.0556   -5.4746    0.3533 H   0  0  0  0  0
    1.1149   -6.6077    2.5620 H   0  0  0  0  0
    0.7319   -5.0922    3.3938 H   0  0  0  0  0
   -2.6169   -4.9915    2.0558 H   0  0  0  0  0
   -1.4634   -4.1408    3.0950 H   0  0  0  0  0
   -1.2686   -4.4729    0.0366 H   0  0  0  0  0
   -1.6570   -2.9723    0.8990 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  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 35  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
 29 53  1  0  0  0
 29 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633650

>  <PubChem CID>
9044803

>  <Formula>
C23H25N3O3

>  <Molecular Weight>
391.471000

>  <IUPAC Name>
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-(2-phenyl-1H-indol-3-yl)ethanone

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)CC(=O)N4CCOCC4

>  <Isomeric SMILES>
CN(CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)CC(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C23H25N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,24H,11-16H2,1H3

>  <InChI Key>
FRUZIJBUVKTDFU-UHFFFAOYSA-N

