
 CHEMBL1202891

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.8097   -1.4058    0.5279 C   0  0  0  0  0
    3.0136   -0.5680    0.2165 C   0  0  0  0  0
    3.7661    0.0223    1.2556 C   0  0  0  0  0
    4.8686    0.8082    0.9178 C   0  0  0  0  0
    5.2447    0.9758   -0.3828 C   0  0  0  0  0
    4.5340    0.4046   -1.4356 C   0  0  0  0  0
    3.4031   -0.3718   -1.1305 C   0  0  0  0  0
    6.3805    1.7819   -0.4782 N   0  0  0  0  0
    6.5863    2.4294    0.7994 C   0  0  0  0  0
    5.8663    1.4782    1.8199 C   0  0  0  0  0
    6.8123    0.3603    2.3174 C   0  0  0  0  0
    8.1594    0.9287    2.7567 C   0  0  0  0  0
    8.8057    1.6102    1.6232 N   0  0  0  0  0
    8.0360    2.7957    1.2147 C   0  0  0  0  0
    8.7788    3.5636    0.0989 C   0  0  0  0  0
   10.1718    3.9924    0.5288 C   0  0  0  0  0
   11.2734    3.3081   -0.0176 C   0  0  0  0  0
   12.5761    3.6366    0.3529 C   0  0  0  0  0
   12.8115    4.6576    1.2682 C   0  0  0  0  0
   11.7407    5.3721    1.8210 C   0  0  0  0  0
   11.9912    6.4111    2.7306 C   0  0  0  0  0
   10.9346    7.1395    3.2753 C   0  0  0  0  0
    9.6206    6.8404    2.9175 C   0  0  0  0  0
    9.3504    5.8074    2.0162 C   0  0  0  0  0
   10.4039    5.0495    1.4564 C   0  0  0  0  0
    0.1198   -2.6795   -2.7858 Cl  0  0  0  0  0
    1.9562   -2.4328    0.1328 H   0  0  0  0  0
    0.9128   -0.9570    0.0517 H   0  0  0  0  0
    1.6296   -1.4714    1.6220 H   0  0  0  0  0
    3.5003   -0.1253    2.2947 H   0  0  0  0  0
    4.8424    0.5559   -2.4617 H   0  0  0  0  0
    2.8337   -0.8237   -1.9334 H   0  0  0  0  0
    6.7284    2.1441   -1.3775 H   0  0  0  0  0
    6.0110    3.3814    0.7249 H   0  0  0  0  0
    5.4669    2.0874    2.6592 H   0  0  0  0  0
    6.3257   -0.2148    3.1344 H   0  0  0  0  0
    7.0417   -0.3538    1.4923 H   0  0  0  0  0
    8.0311    1.6261    3.6139 H   0  0  0  0  0
    8.8114    0.0945    3.0939 H   0  0  0  0  0
    8.9211    0.9496    0.8182 H   0  0  0  0  0
    7.9466    3.4509    2.1066 H   0  0  0  0  0
    8.2058    4.4488   -0.2516 H   0  0  0  0  0
    8.8571    2.8752   -0.7699 H   0  0  0  0  0
   11.1215    2.5038   -0.7263 H   0  0  0  0  0
   13.4094    3.0918   -0.0724 H   0  0  0  0  0
   13.8323    4.8969    1.5418 H   0  0  0  0  0
   13.0073    6.6612    3.0141 H   0  0  0  0  0
   11.1352    7.9420    3.9731 H   0  0  0  0  0
    8.8054    7.4156    3.3385 H   0  0  0  0  0
    8.3193    5.6187    1.7583 H   0  0  0  0  0
   -0.4458   -2.5635   -1.5375 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 50  1  0  0  0
 26 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1202891

>  <PubChem CID>
49860497

>  <Formula>
C23H25ClN2

>  <Molecular Weight>
364.917000

>  <IUPAC Name>
6-methyl-1-(naphthalen-1-ylmethyl)-2,3,4,4a,9,9a-hexahydro-1H-pyrido[3,4-b]indole;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC2=C(C=C1)NC3C2CCNC3CC4=CC=CC5=CC=CC=C54.Cl

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)NC3C2CCNC3CC4=CC=CC5=CC=CC=C54.Cl

>  <InChI Std. ID>
InChI=1S/C23H24N2.ClH/c1-15-9-10-21-20(13-15)19-11-12-24-22(23(19)25-21)14-17-7-4-6-16-5-2-3-8-18(16)17;/h2-10,13,19,22-25H,11-12,14H2,1H3;1H

>  <InChI Key>
GDESTFXCFABOLY-UHFFFAOYSA-N

