
 CHEMBL3752334

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.1822   -0.0057    0.6386 C   0  0  0  0  0
    2.6461    0.2167    1.0467 C   0  0  0  0  0
    3.5035   -1.0142    0.7488 C   0  0  0  0  0
    3.5685   -1.4735   -0.5854 C   0  0  0  0  0
    4.3565   -2.5616   -0.9384 C   0  0  0  0  0
    5.0987   -3.2175    0.0349 C   0  0  0  0  0
    5.0650   -2.7989    1.3713 C   0  0  0  0  0
    5.8334   -3.4884    2.3236 C   0  0  0  0  0
    5.8351   -3.1059    3.6619 C   0  0  0  0  0
    5.0662   -2.0254    4.0641 C   0  0  0  0  0
    4.2965   -1.3282    3.1274 C   0  0  0  0  0
    4.2662   -1.6877    1.7558 C   0  0  0  0  0
    3.1425    1.4338    0.3745 N   0  0  0  0  0
    4.4343    1.8586    0.9231 C   0  0  0  0  0
    4.7975    3.2132    0.4180 C   0  0  0  0  0
    5.9778    3.9213    0.5214 C   0  0  0  0  0
    5.7911    5.1972   -0.0867 C   0  0  0  0  0
    6.6148    6.3316   -0.2542 C   0  0  0  0  0
    6.0849    7.4384   -0.9362 C   0  0  0  0  0
    4.7720    7.4436   -1.4195 C   0  0  0  0  0
    3.9455    6.3299   -1.2433 C   0  0  0  0  0
    4.4838    5.2249   -0.5698 C   0  0  0  0  0
    3.9046    4.0220   -0.2418 N   0  0  0  0  0
    4.4110    8.6065   -2.0519 O   0  0  0  0  0
    3.0664    8.7004   -2.5047 C   0  0  0  0  0
    7.8935    6.2685    0.2384 O   0  0  0  0  0
    8.4788    7.5157    0.5946 C   0  0  0  0  0
    0.5618    0.8427    0.9507 H   0  0  0  0  0
    0.7786   -0.9046    1.1194 H   0  0  0  0  0
    1.0571   -0.1221   -0.4435 H   0  0  0  0  0
    2.6038    0.4232    2.1183 H   0  0  0  0  0
    3.0052   -0.9739   -1.3703 H   0  0  0  0  0
    4.3966   -2.8951   -1.9721 H   0  0  0  0  0
    5.7130   -4.0650   -0.2624 H   0  0  0  0  0
    6.4457   -4.3375    2.0259 H   0  0  0  0  0
    6.4362   -3.6504    4.3845 H   0  0  0  0  0
    5.0614   -1.7179    5.1068 H   0  0  0  0  0
    3.7192   -0.4905    3.5065 H   0  0  0  0  0
    3.2795    1.2280   -0.6135 H   0  0  0  0  0
    5.2258    1.1526    0.6436 H   0  0  0  0  0
    4.3915    1.9083    2.0181 H   0  0  0  0  0
    6.8855    3.5760    1.0004 H   0  0  0  0  0
    6.6914    8.3209   -1.1145 H   0  0  0  0  0
    2.9260    6.2948   -1.6048 H   0  0  0  0  0
    2.9504    3.7510   -0.4362 H   0  0  0  0  0
    2.9279    9.6965   -2.9354 H   0  0  0  0  0
    2.3597    8.5972   -1.6747 H   0  0  0  0  0
    2.8646    7.9658   -3.2909 H   0  0  0  0  0
    9.3750    7.3068    1.1869 H   0  0  0  0  0
    7.8039    8.1184    1.2125 H   0  0  0  0  0
    8.7927    8.0661   -0.2976 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 26  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
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 25 47  1  0  0  0
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 26 27  1  0  0  0
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 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3752334

>  <PubChem CID>
57385840

>  <Formula>
C23H24N2O2

>  <Molecular Weight>
360.457000

>  <IUPAC Name>
(1R)-N-[(4,6-dimethoxy-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(C=C(C=C4N3)OC)OC

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(C=C(C=C4N3)OC)OC

>  <InChI Std. ID>
InChI=1S/C23H24N2O2/c1-15(19-10-6-8-16-7-4-5-9-20(16)19)24-14-17-11-21-22(25-17)12-18(26-2)13-23(21)27-3/h4-13,15,24-25H,14H2,1-3H3/t15-/m1/s1

>  <InChI Key>
BFVSPBVBARMDKY-OAHLLOKOSA-N

