
 CHEMBL162282

 39 41  0  0  0  0  0  0  0  0999 V2000
    3.0758    1.4159   -1.6838 C   0  0  0  0  0
    3.7738    2.2332   -0.6081 C   0  0  0  0  0
    5.2894    2.2887   -0.8439 C   0  0  0  0  0
    6.0327    2.9685    0.2305 N   0  0  0  0  0
    5.6673    4.3776    0.4063 C   0  0  0  0  0
    6.1507    5.2894   -0.7226 C   0  0  0  0  0
    7.5418    4.9194   -1.2406 C   0  0  0  0  0
    8.3345    4.0598   -0.2436 C   0  0  0  0  0
    7.5092    2.7848    0.0790 C   0  0  0  0  0
    8.1031    2.1202    1.3298 C   0  0  0  0  0
    8.1127    2.9658    2.4806 O   0  0  0  0  0
    8.6639    4.2002    2.2690 C   0  0  0  0  0
    8.8016    4.7875    1.0031 C   0  0  0  0  0
    9.4022    6.0556    0.9205 C   0  0  0  0  0
    9.7952    6.7371    2.0743 C   0  0  0  0  0
    9.6038    6.1523    3.3175 C   0  0  0  0  0
    9.0437    4.8867    3.4250 C   0  0  0  0  0
    9.9851    6.8581    4.4203 O   0  0  0  0  0
    1.9969    1.3880   -1.4978 H   0  0  0  0  0
    3.4443    0.3853   -1.6985 H   0  0  0  0  0
    3.2372    1.8542   -2.6745 H   0  0  0  0  0
    3.5639    1.7913    0.3731 H   0  0  0  0  0
    3.3386    3.2387   -0.6164 H   0  0  0  0  0
    5.4964    2.7478   -1.8181 H   0  0  0  0  0
    5.6401    1.2495   -0.9030 H   0  0  0  0  0
    6.0755    4.7323    1.3593 H   0  0  0  0  0
    4.5880    4.5035    0.5412 H   0  0  0  0  0
    6.1611    6.3233   -0.3569 H   0  0  0  0  0
    5.4417    5.2654   -1.5591 H   0  0  0  0  0
    8.0813    5.8244   -1.5389 H   0  0  0  0  0
    7.4198    4.3399   -2.1662 H   0  0  0  0  0
    9.2547    3.7324   -0.7497 H   0  0  0  0  0
    7.6826    2.0852   -0.7516 H   0  0  0  0  0
    9.1310    1.7850    1.1351 H   0  0  0  0  0
    7.5310    1.2213    1.5881 H   0  0  0  0  0
    9.5659    6.5347   -0.0410 H   0  0  0  0  0
   10.2434    7.7241    2.0015 H   0  0  0  0  0
    8.8958    4.4147    4.3908 H   0  0  0  0  0
    9.7616    6.3367    5.2088 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL162282

>  <PubChem CID>
14151624

>  <Formula>
C15H21NO2

>  <Molecular Weight>
247.338000

>  <IUPAC Name>
(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-8-ol

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN1CCCC2C1COC3=C2C=CC(=C3)O

>  <Isomeric SMILES>
CCCN1CCC[C@H]2[C@H]1COC3=C2C=CC(=C3)O

>  <InChI Std. ID>
InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-6-5-11(17)9-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1

>  <InChI Key>
CQEATFKLDYHKCI-TZMCWYRMSA-N

