
 CHEMBL365483

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.0087    0.6638   -0.0375 C   0  0  0  0  0
    2.5238    0.3713    0.0113 C   0  0  0  0  0
    2.8161   -1.2039    0.0297 C   0  0  0  0  0
    2.8036   -1.7512    1.4724 C   0  0  0  0  0
    3.8709   -1.0785    2.3127 C   0  0  0  0  0
    3.6981    0.4113    2.3290 C   0  0  0  0  0
    3.0946    1.1007    1.2604 C   0  0  0  0  0
    2.9865    2.5052    1.3740 C   0  0  0  0  0
    3.4674    3.1858    2.4887 C   0  0  0  0  0
    4.0728    2.5024    3.5284 C   0  0  0  0  0
    4.1918    1.1181    3.4434 C   0  0  0  0  0
    3.3182    4.5425    2.5189 O   0  0  0  0  0
    2.0853   -2.1590   -0.8503 N   0  0  0  0  0
    0.7554   -2.5777   -0.4066 C   0  0  0  0  0
    2.1348   -1.8725   -2.2820 C   0  0  0  0  0
    1.9929   -3.1290   -3.0945 C   0  0  0  0  0
    0.9272   -3.4268   -3.8564 C   0  0  0  0  0
    0.7701   -4.6754   -4.6189 C   0  0  0  0  0
   -0.0906   -4.6914   -5.7244 C   0  0  0  0  0
   -0.2839   -5.8629   -6.4623 C   0  0  0  0  0
    0.3734   -7.0353   -6.0968 C   0  0  0  0  0
    1.2144   -7.0405   -4.9865 C   0  0  0  0  0
    1.4035   -5.8699   -4.2484 C   0  0  0  0  0
    3.1879    1.0029   -1.2420 C   0  0  0  0  0
    0.4909    0.2315    0.8252 H   0  0  0  0  0
    0.5513    0.2771   -0.9523 H   0  0  0  0  0
    0.7908    1.7379   -0.0366 H   0  0  0  0  0
    3.8655   -1.3066   -0.2891 H   0  0  0  0  0
    3.0030   -2.8309    1.4767 H   0  0  0  0  0
    1.8220   -1.5959    1.9380 H   0  0  0  0  0
    4.8700   -1.3163    1.9282 H   0  0  0  0  0
    3.8080   -1.4771    3.3329 H   0  0  0  0  0
    2.5148    3.0956    0.5925 H   0  0  0  0  0
    4.4519    3.0188    4.4034 H   0  0  0  0  0
    4.6671    0.5799    4.2614 H   0  0  0  0  0
    3.6905    4.8736    3.3508 H   0  0  0  0  0
    0.7752   -3.0086    0.5983 H   0  0  0  0  0
    0.3588   -3.3839   -1.0332 H   0  0  0  0  0
    0.0216   -1.7706   -0.4220 H   0  0  0  0  0
    3.1160   -1.4661   -2.5537 H   0  0  0  0  0
    1.3797   -1.1327   -2.5700 H   0  0  0  0  0
    2.8384   -3.8084   -3.0283 H   0  0  0  0  0
    0.0967   -2.7268   -3.9156 H   0  0  0  0  0
   -0.6158   -3.7887   -6.0279 H   0  0  0  0  0
   -0.9482   -5.8590   -7.3223 H   0  0  0  0  0
    0.2264   -7.9452   -6.6713 H   0  0  0  0  0
    1.7212   -7.9547   -4.6897 H   0  0  0  0  0
    2.0464   -5.9104   -3.3719 H   0  0  0  0  0
    4.2630    0.7878   -1.2662 H   0  0  0  0  0
    3.0814    2.0919   -1.2750 H   0  0  0  0  0
    2.7474    0.6456   -2.1736 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL365483

>  <PubChem CID>
11198030

>  <Formula>
C22H27NO

>  <Molecular Weight>
321.464000

>  <IUPAC Name>
8,8-dimethyl-7-[methyl-[(E)-3-phenylprop-2-enyl]amino]-6,7-dihydro-5H-naphthalen-2-ol

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(C(CCC2=C1C=C(C=C2)O)N(C)CC=CC3=CC=CC=C3)C

>  <Isomeric SMILES>
CC1(C(CCC2=C1C=C(C=C2)O)N(C)C/C=C/C3=CC=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C22H27NO/c1-22(2)20-16-19(24)13-11-18(20)12-14-21(22)23(3)15-7-10-17-8-5-4-6-9-17/h4-11,13,16,21,24H,12,14-15H2,1-3H3/b10-7+

>  <InChI Key>
AHIRZFCBGSMDPL-JXMROGBWSA-N

