
 CHEMBL3799283

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.8321   -0.6390   -0.3291 C   0  0  0  0  0
    2.1365    0.5749   -0.9106 C   0  0  0  0  0
    2.5992    1.6786   -0.0700 N   0  0  0  0  0
    4.0453    1.4203    0.1055 C   0  0  0  0  0
    4.1825   -0.1086    0.1739 C   0  0  0  0  0
    4.5127   -0.6046    1.5873 C   0  0  0  0  0
    5.6529    0.1341    2.1324 N   0  0  0  0  0
    5.4298    1.5196    2.2154 C   0  0  0  0  0
    6.1053    2.2716    3.1847 C   0  0  0  0  0
    5.9453    3.6565    3.2560 C   0  0  0  0  0
    5.1334    4.3099    2.3347 C   0  0  0  0  0
    4.4984    3.5790    1.3323 C   0  0  0  0  0
    4.6490    2.1833    1.2564 C   0  0  0  0  0
    4.8436   -2.0919    1.6043 C   0  0  0  0  0
    6.0298   -2.5798    1.0300 C   0  0  0  0  0
    6.3173   -3.9454    1.0387 C   0  0  0  0  0
    5.4211   -4.8326    1.6199 C   0  0  0  0  0
    4.2408   -4.3770    2.1969 C   0  0  0  0  0
    3.9540   -3.0089    2.1896 C   0  0  0  0  0
    5.7393   -6.1585    1.6052 O   0  0  0  0  0
    2.9599   -1.4298   -1.0755 H   0  0  0  0  0
    2.2294   -1.0485    0.4906 H   0  0  0  0  0
    1.0473    0.4777   -0.8864 H   0  0  0  0  0
    2.4397    0.7421   -1.9506 H   0  0  0  0  0
    2.1550    1.6124    0.8463 H   0  0  0  0  0
    4.5550    1.7650   -0.8060 H   0  0  0  0  0
    4.9687   -0.4111   -0.5320 H   0  0  0  0  0
    3.6535   -0.4367    2.2534 H   0  0  0  0  0
    5.9648   -0.2511    3.0212 H   0  0  0  0  0
    6.7617    1.7807    3.8982 H   0  0  0  0  0
    6.4649    4.2241    4.0231 H   0  0  0  0  0
    5.0129    5.3888    2.3800 H   0  0  0  0  0
    3.8951    4.0990    0.5904 H   0  0  0  0  0
    6.7410   -1.8900    0.5779 H   0  0  0  0  0
    7.2378   -4.3130    0.5948 H   0  0  0  0  0
    3.5362   -5.0647    2.6536 H   0  0  0  0  0
    3.0275   -2.6636    2.6432 H   0  0  0  0  0
    5.0298   -6.6529    2.0451 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
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  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3799283

>  <PubChem CID>
127047113

>  <Formula>
C17H18N2O

>  <Molecular Weight>
266.344000

>  <IUPAC Name>
4-[(3aR,4S,9bS)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-4-yl]phenol

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNC2C1C(NC3=CC=CC=C23)C4=CC=C(C=C4)O

>  <Isomeric SMILES>
C1CN[C@H]2[C@@H]1[C@H](NC3=CC=CC=C23)C4=CC=C(C=C4)O

>  <InChI Std. ID>
InChI=1S/C17H18N2O/c20-12-7-5-11(6-8-12)16-14-9-10-18-17(14)13-3-1-2-4-15(13)19-16/h1-8,14,16-20H,9-10H2/t14-,16+,17+/m0/s1

>  <InChI Key>
WYTJBZHRNYBZSN-USXIJHARSA-N

