
 CHEMBL3753595

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.6478    1.5977    1.3150 C   0  0  0  0  0
    0.6255    0.8564   -0.0265 C   0  0  0  0  0
   -0.8027    0.8158   -0.5667 C   0  0  0  0  0
   -1.2782    1.9119   -1.3160 C   0  0  0  0  0
   -2.5449    1.9012   -1.8867 C   0  0  0  0  0
   -3.3736    0.8003   -1.7017 C   0  0  0  0  0
   -2.9605   -0.2894   -0.9236 C   0  0  0  0  0
   -3.8334   -1.3746   -0.7333 C   0  0  0  0  0
   -3.4684   -2.4625    0.0536 C   0  0  0  0  0
   -2.2234   -2.4800    0.6651 C   0  0  0  0  0
   -1.3392   -1.4128    0.4763 C   0  0  0  0  0
   -1.6719   -0.2944   -0.3275 C   0  0  0  0  0
    1.6038    1.5045   -0.9299 N   0  0  0  0  0
    1.7619    0.7565   -2.1842 C   0  0  0  0  0
    2.8280    1.3872   -3.0133 C   0  0  0  0  0
    3.6603    0.8481   -3.9726 C   0  0  0  0  0
    4.5124    1.8816   -4.4486 C   0  0  0  0  0
    4.1597    3.0505   -3.7721 C   0  0  0  0  0
    3.1136    2.7305   -2.9397 N   0  0  0  0  0
    4.8142    4.2716   -3.9788 C   0  0  0  0  0
    5.8618    4.2962   -4.9047 C   0  0  0  0  0
    6.2212    3.1424   -5.5948 C   0  0  0  0  0
    5.5598    1.9317   -5.3870 C   0  0  0  0  0
    7.2436    3.1501   -6.5016 O   0  0  0  0  0
    1.6528    1.5872    1.7540 H   0  0  0  0  0
   -0.0302    1.1275    2.0368 H   0  0  0  0  0
    0.3402    2.6452    1.2070 H   0  0  0  0  0
    0.9952   -0.1589    0.1453 H   0  0  0  0  0
   -0.6374    2.7774   -1.4803 H   0  0  0  0  0
   -2.8813    2.7438   -2.4826 H   0  0  0  0  0
   -4.3572    0.8058   -2.1643 H   0  0  0  0  0
   -4.8161   -1.3756   -1.1983 H   0  0  0  0  0
   -4.1576   -3.2911    0.1941 H   0  0  0  0  0
   -1.9347   -3.3197    1.2915 H   0  0  0  0  0
   -0.3849   -1.4730    0.9898 H   0  0  0  0  0
    2.5099    1.4904   -0.4599 H   0  0  0  0  0
    0.8359    0.7515   -2.7693 H   0  0  0  0  0
    2.0379   -0.2846   -1.9758 H   0  0  0  0  0
    3.6706   -0.1861   -4.2895 H   0  0  0  0  0
    2.6372    3.3703   -2.3165 H   0  0  0  0  0
    4.5252    5.1668   -3.4379 H   0  0  0  0  0
    6.3858    5.2310   -5.0742 H   0  0  0  0  0
    5.8573    1.0429   -5.9348 H   0  0  0  0  0
    7.6244    4.0433   -6.5256 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 23  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753595

>  <PubChem CID>
127028250

>  <Formula>
C21H20N2O

>  <Molecular Weight>
316.404000

>  <IUPAC Name>
2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-5-ol

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)O

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)O

>  <InChI Std. ID>
InChI=1S/C21H20N2O/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)22-13-17-11-16-12-18(24)9-10-21(16)23-17/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1

>  <InChI Key>
IVSLZYXAOIDNQW-CQSZACIVSA-N

