
 CHEMBL429396

 48 50  0  0  0  0  0  0  0  0999 V2000
    1.7877   -1.4296    0.0840 C   0  0  0  0  0
    0.5906   -0.5738   -0.3477 C   0  0  0  0  0
   -0.6837   -1.4559   -0.3033 C   0  0  0  0  0
   -1.9398   -0.7702   -0.7579 C   0  0  0  0  0
   -2.1885   -0.2370   -2.0091 C   0  0  0  0  0
   -3.4542    0.2864   -2.0113 N   0  0  0  0  0
   -4.0493    0.0952   -0.7875 C   0  0  0  0  0
   -3.1280   -0.5716    0.0175 C   0  0  0  0  0
   -3.5103   -0.9035    1.3326 C   0  0  0  0  0
   -4.7861   -0.5528    1.7988 C   0  0  0  0  0
   -5.6826    0.1292    0.9784 C   0  0  0  0  0
   -5.3254    0.4558   -0.3358 C   0  0  0  0  0
   -6.9445    0.5280    1.3347 O   0  0  0  0  0
   -7.3059    0.3615    2.7002 C   0  0  0  0  0
    0.4547    0.6151    0.5237 N   0  0  0  0  0
    1.5356    1.6024    0.3051 C   0  0  0  0  0
    1.3547    2.8507    1.2081 C   0  0  0  0  0
    0.3267    3.8324    0.6833 C   0  0  0  0  0
   -1.0147    3.7869    1.0955 C   0  0  0  0  0
   -1.9394    4.7001    0.5873 C   0  0  0  0  0
   -1.5452    5.6690   -0.3325 C   0  0  0  0  0
   -0.2181    5.7223   -0.7551 C   0  0  0  0  0
    0.7115    4.8067   -0.2519 C   0  0  0  0  0
   -3.5787    4.6336    1.1061 Cl  0  0  0  0  0
    1.0173    2.4329    2.5358 O   0  0  0  0  0
    2.7387   -0.9257   -0.1146 H   0  0  0  0  0
    1.8084   -2.3778   -0.4641 H   0  0  0  0  0
    1.7430   -1.6641    1.1540 H   0  0  0  0  0
    0.7419   -0.2478   -1.3850 H   0  0  0  0  0
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   -0.8195   -1.8446    0.7140 H   0  0  0  0  0
   -1.5743   -0.1863   -2.8982 H   0  0  0  0  0
   -3.8991    0.7397   -2.7977 H   0  0  0  0  0
   -2.8249   -1.4325    1.9882 H   0  0  0  0  0
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   -6.0247    0.9798   -0.9796 H   0  0  0  0  0
   -8.2882    0.8214    2.8450 H   0  0  0  0  0
   -6.6009    0.8708    3.3661 H   0  0  0  0  0
   -7.3935   -0.7000    2.9540 H   0  0  0  0  0
   -0.4375    1.0673    0.2921 H   0  0  0  0  0
    1.6046    1.8919   -0.7496 H   0  0  0  0  0
    2.4847    1.1411    0.5987 H   0  0  0  0  0
    2.3173    3.3705    1.2892 H   0  0  0  0  0
   -1.3387    3.0456    1.8215 H   0  0  0  0  0
   -2.2647    6.3845   -0.7202 H   0  0  0  0  0
    0.0952    6.4773   -1.4706 H   0  0  0  0  0
    1.7445    4.8683   -0.5890 H   0  0  0  0  0
    0.6960    1.5136    2.4284 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  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
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 25  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL429396

>  <PubChem CID>
11222097

>  <Formula>
C20H23ClN2O2

>  <Molecular Weight>
358.866000

>  <IUPAC Name>
1-(3-chlorophenyl)-2-[1-(6-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CC1=CNC2=C1C=CC(=C2)OC)NCC(C3=CC(=CC=C3)Cl)O

>  <Isomeric SMILES>
CC(CC1=CNC2=C1C=CC(=C2)OC)NCC(C3=CC(=CC=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C20H23ClN2O2/c1-13(22-12-20(24)14-4-3-5-16(21)9-14)8-15-11-23-19-10-17(25-2)6-7-18(15)19/h3-7,9-11,13,20,22-24H,8,12H2,1-2H3

>  <InChI Key>
AIYBKTHGVJGOBK-UHFFFAOYSA-N

