
 CHEMBL2432039

 44 53  0  0  0  0  0  0  0  0999 V2000
    2.5974    2.0054   -0.3822 C   0  0  0  0  0
    3.0839    0.7217   -1.0219 C   0  0  0  0  0
    2.2578   -0.4036   -0.3564 C   0  0  0  0  0
    3.2369   -1.5767   -0.4209 C   0  0  0  0  0
    4.4958   -0.9470    0.1774 C   0  0  0  0  0
    4.4682    0.4969   -0.3663 C   0  0  0  0  0
    4.2620    1.0434    1.0610 C   0  0  0  0  0
    2.7867    1.5114    1.0370 C   0  0  0  0  0
    2.0515    0.1476    1.1018 C   0  0  0  0  0
    2.8679   -0.6325    2.1589 C   0  0  0  0  0
    4.2918   -0.3960    1.6285 C   0  0  0  0  0
    2.6612   -0.0515    3.4914 N   0  0  0  0  0
    3.3277   -0.8073    4.5513 C   0  0  0  0  0
    3.0493   -0.1707    5.8757 C   0  0  0  0  0
    1.6743   -0.0686    6.5746 C   0  0  0  0  0
    2.3022   -0.5429    7.8911 C   0  0  0  0  0
    3.6725   -0.6406    7.2092 C   0  0  0  0  0
    3.9681    0.8159    7.5913 C   0  0  0  0  0
    2.5970    0.9139    8.2746 C   0  0  0  0  0
    1.9730    1.3879    6.9548 C   0  0  0  0  0
    3.3455    1.2941    6.2740 C   0  0  0  0  0
    1.5542    2.2322   -0.6193 H   0  0  0  0  0
    3.2366    2.8620   -0.6182 H   0  0  0  0  0
    3.1037    0.6934   -2.1134 H   0  0  0  0  0
    1.3045   -0.5907   -0.8577 H   0  0  0  0  0
    3.4141   -1.8812   -1.4592 H   0  0  0  0  0
    2.8974   -2.4566    0.1327 H   0  0  0  0  0
    5.4277   -1.4967    0.0225 H   0  0  0  0  0
    5.3510    0.8583   -0.8969 H   0  0  0  0  0
    5.0147    1.7469    1.4217 H   0  0  0  0  0
    2.5322    2.2155    1.8321 H   0  0  0  0  0
    0.9873    0.2488    1.3377 H   0  0  0  0  0
    2.5927   -1.6926    2.1733 H   0  0  0  0  0
    5.1299   -0.6224    2.2923 H   0  0  0  0  0
    1.6600   -0.0233    3.6839 H   0  0  0  0  0
    4.4096   -0.8227    4.3861 H   0  0  0  0  0
    2.9781   -1.8465    4.5560 H   0  0  0  0  0
    0.7361   -0.4260    6.1689 H   0  0  0  0  0
    1.8800   -1.2892    8.5517 H   0  0  0  0  0
    4.3664   -1.4641    7.3210 H   0  0  0  0  0
    4.8999    1.1760    8.0076 H   0  0  0  0  0
    2.4130    1.3538    9.2462 H   0  0  0  0  0
    1.2804    2.2134    6.8529 H   0  0  0  0  0
    3.7685    2.0491    5.6234 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 14 21  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 21  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2432039

>  <PubChem CID>
73355415

>  <Formula>
C20H23N

>  <Molecular Weight>
277.411000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1C2C3CC4C2C5C1C3C(C45)NCC67C8C9C6C1C9C8C71

>  <Isomeric SMILES>
C1C2C3CC4C2[C@@H](C5C1C3C45)NCC67C8C9C6C1C9C8C71

>  <InChI Std. ID>
InChI=1S/C20H23N/c1-4-5-2-6-8(4)10-7(1)9(5)19(11(6)10)21-3-20-16-13-12-14(16)18(20)15(12)17(13)20/h4-19,21H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19-,20?/m0/s1

>  <InChI Key>
CHZUEGVOEFMIJH-ZKRSMWHSSA-N

