
 CHEMBL3754606

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.0950    0.2553   -0.1478 C   0  0  0  0  0
    2.6014    0.1029   -0.3865 C   0  0  0  0  0
    2.8424   -0.5298   -1.7580 C   0  0  0  0  0
    2.9036    0.3093   -2.8908 C   0  0  0  0  0
    3.1896   -0.1997   -4.1512 C   0  0  0  0  0
    3.3993   -1.5640   -4.3113 C   0  0  0  0  0
    3.2992   -2.4407   -3.2223 C   0  0  0  0  0
    3.4904   -3.8179   -3.4236 C   0  0  0  0  0
    3.3741   -4.7222   -2.3710 C   0  0  0  0  0
    3.0620   -4.2591   -1.1016 C   0  0  0  0  0
    2.8809   -2.8903   -0.8831 C   0  0  0  0  0
    3.0024   -1.9398   -1.9267 C   0  0  0  0  0
    3.2415    1.4258   -0.2126 N   0  0  0  0  0
    4.7039    1.3223   -0.2198 C   0  0  0  0  0
    5.3155    2.6726   -0.0653 C   0  0  0  0  0
    6.5533    3.0492    0.4198 C   0  0  0  0  0
    6.6593    4.4636    0.3126 C   0  0  0  0  0
    5.4652    4.9220   -0.2404 C   0  0  0  0  0
    4.6789    3.8207   -0.4755 N   0  0  0  0  0
    5.2197    6.2752   -0.4776 C   0  0  0  0  0
    6.2173    7.1952   -0.1524 C   0  0  0  0  0
    7.4261    6.7625    0.3934 C   0  0  0  0  0
    7.6604    5.4014    0.6313 C   0  0  0  0  0
    4.0268    6.6706   -1.0151 O   0  0  0  0  0
    0.8944    0.6536    0.8535 H   0  0  0  0  0
    0.5841   -0.7112   -0.2241 H   0  0  0  0  0
    0.6335    0.9310   -0.8773 H   0  0  0  0  0
    3.0028   -0.5409    0.4030 H   0  0  0  0  0
    2.7542    1.3824   -2.7817 H   0  0  0  0  0
    3.2600    0.4688   -5.0046 H   0  0  0  0  0
    3.6330   -1.9420   -5.3041 H   0  0  0  0  0
    3.7285   -4.2002   -4.4142 H   0  0  0  0  0
    3.5202   -5.7846   -2.5464 H   0  0  0  0  0
    2.9561   -4.9594   -0.2772 H   0  0  0  0  0
    2.6242   -2.5850    0.1269 H   0  0  0  0  0
    2.9687    1.7943    0.6986 H   0  0  0  0  0
    5.0747    0.8970   -1.1587 H   0  0  0  0  0
    5.0422    0.6758    0.5990 H   0  0  0  0  0
    7.3099    2.3768    0.8025 H   0  0  0  0  0
    3.7530    3.8499   -0.8825 H   0  0  0  0  0
    6.0690    8.2575   -0.3212 H   0  0  0  0  0
    8.1986    7.4873    0.6388 H   0  0  0  0  0
    8.6044    5.0740    1.0564 H   0  0  0  0  0
    4.0412    7.6377   -1.1012 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 24  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3754606

>  <PubChem CID>
127026333

>  <Formula>
C21H20N2O

>  <Molecular Weight>
316.404000

>  <IUPAC Name>
2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-1H-indol-7-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(18-10-4-7-15-6-2-3-9-19(15)18)22-13-17-12-16-8-5-11-20(24)21(16)23-17/h2-12,14,22-24H,13H2,1H3/t14-/m1/s1

>  <InChI Key>
CIRVPUAFBSYXJY-CQSZACIVSA-N

