
 CHEMBL377946

 49 51  0  0  0  0  0  0  0  0999 V2000
    2.3625   -0.3402    2.6357 C   0  0  0  0  0
    2.1121   -0.4597    1.2135 N   0  0  0  0  0
    2.4162   -1.6044    0.4933 C   0  0  0  0  0
    3.0272   -2.8085    0.8837 C   0  0  0  0  0
    3.1949   -3.8061   -0.0816 C   0  0  0  0  0
    2.7600   -3.6168   -1.3896 C   0  0  0  0  0
    2.1550   -2.4147   -1.7693 C   0  0  0  0  0
    1.9921   -1.3907   -0.8162 C   0  0  0  0  0
    1.4746   -0.0741   -0.8723 C   0  0  0  0  0
    1.6002    0.5195    0.3779 C   0  0  0  0  0
    1.2738    1.8841    0.7483 C   0  0  0  0  0
    1.2557    2.3360    1.8849 O   0  0  0  0  0
    1.0261    2.6086   -0.3781 O   0  0  0  0  0
    0.6674    3.9939   -0.1878 C   0  0  0  0  0
    1.2949    4.7771   -1.3530 C   0  0  0  0  0
    1.0180    6.2861   -1.3352 C   0  0  0  0  0
    1.4235    6.9761   -0.0994 N   0  0  0  0  0
    2.8747    6.9534    0.0979 C   0  0  0  0  0
    0.9547    8.3659   -0.1325 C   0  0  0  0  0
   -0.8484    4.0680   -0.1544 C   0  0  0  0  0
   -1.4945    4.5927    0.9744 C   0  0  0  0  0
   -2.8888    4.6597    1.0292 C   0  0  0  0  0
   -3.6447    4.2011   -0.0468 C   0  0  0  0  0
   -3.0211    3.6715   -1.1735 C   0  0  0  0  0
   -1.6272    3.6007   -1.2256 C   0  0  0  0  0
   -5.3624    4.2862    0.0175 Cl  0  0  0  0  0
    3.4253   -0.1290    2.7768 H   0  0  0  0  0
    2.0939   -1.2832    3.1204 H   0  0  0  0  0
    1.7507    0.4422    3.0800 H   0  0  0  0  0
    3.3705   -2.9692    1.9005 H   0  0  0  0  0
    3.6717   -4.7433    0.1960 H   0  0  0  0  0
    2.8962   -4.4055   -2.1251 H   0  0  0  0  0
    1.8258   -2.2697   -2.7938 H   0  0  0  0  0
    1.0765    0.4119   -1.7541 H   0  0  0  0  0
    1.0947    4.3716    0.7488 H   0  0  0  0  0
    0.9452    4.3703   -2.3112 H   0  0  0  0  0
    2.3769    4.5924   -1.3609 H   0  0  0  0  0
   -0.0590    6.4304   -1.4893 H   0  0  0  0  0
    1.5122    6.7418   -2.2037 H   0  0  0  0  0
    3.2345    5.9327    0.2605 H   0  0  0  0  0
    3.1495    7.5161    0.9977 H   0  0  0  0  0
    3.4151    7.3835   -0.7530 H   0  0  0  0  0
   -0.1365    8.4040   -0.2268 H   0  0  0  0  0
    1.3933    8.9296   -0.9643 H   0  0  0  0  0
    1.2041    8.8802    0.8024 H   0  0  0  0  0
   -0.9120    4.9495    1.8230 H   0  0  0  0  0
   -3.3733    5.0653    1.9122 H   0  0  0  0  0
   -3.6107    3.3070   -2.0100 H   0  0  0  0  0
   -1.1522    3.1699   -2.1042 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 14 20  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL377946

>  <PubChem CID>
15983325

>  <Formula>
C21H23ClN2O2

>  <Molecular Weight>
370.877000

>  <IUPAC Name>
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=CC=CC=C2C=C1C(=O)OC(CCN(C)C)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CN1C2=CC=CC=C2C=C1C(=O)OC(CCN(C)C)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-17(22)11-9-15)26-21(25)19-14-16-6-4-5-7-18(16)24(19)3/h4-11,14,20H,12-13H2,1-3H3

>  <InChI Key>
BMAXKTGAPQGADW-UHFFFAOYSA-N

