
 CHEMBL3798085

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.8374   -0.6344   -0.3065 C   0  0  0  0  0
    2.1630    0.5783   -0.9147 C   0  0  0  0  0
    2.6431    1.6916   -0.0970 N   0  0  0  0  0
    4.0835    1.4138    0.0885 C   0  0  0  0  0
    4.1949   -0.1156    0.1890 C   0  0  0  0  0
    4.5123   -0.5877    1.6135 C   0  0  0  0  0
    5.6632    0.1436    2.1485 N   0  0  0  0  0
    5.4645    1.5339    2.2006 C   0  0  0  0  0
    4.6977    2.1897    1.2244 C   0  0  0  0  0
    4.5729    3.5890    1.2697 C   0  0  0  0  0
    5.2228    4.3197    2.2559 C   0  0  0  0  0
    6.0207    3.6840    3.1978 C   0  0  0  0  0
    6.1523    2.2942    3.1560 C   0  0  0  0  0
    5.0692    5.6740    2.2525 O   0  0  0  0  0
    4.8190   -2.0787    1.6633 C   0  0  0  0  0
    5.9981   -2.5989    1.1034 C   0  0  0  0  0
    6.2641   -3.9683    1.1438 C   0  0  0  0  0
    5.3551   -4.8371    1.7428 C   0  0  0  0  0
    4.1815   -4.3377    2.3038 C   0  0  0  0  0
    3.9146   -2.9675    2.2660 C   0  0  0  0  0
    2.9540   -1.4421   -1.0363 H   0  0  0  0  0
    2.2260   -1.0169    0.5195 H   0  0  0  0  0
    1.0720    0.5002   -0.8905 H   0  0  0  0  0
    2.4704    0.7184   -1.9575 H   0  0  0  0  0
    2.1934    1.6570    0.8182 H   0  0  0  0  0
    4.6012    1.7303   -0.8287 H   0  0  0  0  0
    4.9780   -0.4460   -0.5078 H   0  0  0  0  0
    3.6538   -0.3915    2.2728 H   0  0  0  0  0
    5.9624   -0.2312    3.0462 H   0  0  0  0  0
    3.9811    4.1084    0.5190 H   0  0  0  0  0
    6.5530    4.2451    3.9584 H   0  0  0  0  0
    6.7965    1.8043    3.8814 H   0  0  0  0  0
    5.5944    6.0473    2.9785 H   0  0  0  0  0
    6.7199   -1.9296    0.6377 H   0  0  0  0  0
    7.1820   -4.3550    0.7087 H   0  0  0  0  0
    5.5623   -5.9036    1.7736 H   0  0  0  0  0
    3.4729   -5.0165    2.7715 H   0  0  0  0  0
    2.9918   -2.5998    2.7094 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 21  1  0  0  0
  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  9  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 15  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3798085

>  <PubChem CID>
127047517

>  <Formula>
C17H18N2O

>  <Molecular Weight>
266.344000

>  <IUPAC Name>
(3aR,4S,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinolin-8-ol

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNC2C1C(NC3=C2C=C(C=C3)O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H18N2O/c20-12-6-7-15-14(10-12)17-13(8-9-18-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-20H,8-9H2/t13-,16+,17-/m0/s1

>  <InChI Key>
SOVWYGRRFOXBIE-XKQJLSEDSA-N

