
 CHEMBL565206

 53 57  0  0  0  0  0  0  0  0999 V2000
    2.2724    4.9251   -2.2862 C   0  0  0  0  0
    1.9041    4.2000   -1.0185 C   0  0  0  0  0
    0.7666    4.2686   -0.5569 O   0  0  0  0  0
    2.9491    3.4006   -0.3110 C   0  0  0  0  0
    2.6103    2.7902    0.9014 C   0  0  0  0  0
    3.5617    2.0592    1.6050 C   0  0  0  0  0
    4.8599    1.9360    1.1040 C   0  0  0  0  0
    5.2333    2.5231   -0.1190 C   0  0  0  0  0
    4.2496    3.2520   -0.8171 C   0  0  0  0  0
    6.6153    2.3829   -0.6513 C   0  0  0  0  0
    7.2429    3.4815   -1.2903 C   0  0  0  0  0
    8.5247    3.3194   -1.7893 C   0  0  0  0  0
    9.2700    1.9262   -1.5778 C   0  0  0  0  0
    8.6219    0.8826   -0.9528 C   0  0  0  0  0
    7.3105    1.1284   -0.5131 C   0  0  0  0  0
   10.9093    1.6742   -2.2114 C   0  0  0  0  0
   10.7776    3.0363   -2.0593 C   0  0  0  0  0
    9.7874    2.6226   -3.7617 C   0  0  0  0  0
   10.8084    2.0615   -4.6739 C   0  0  0  0  0
   11.5550    2.7113   -3.5972 C   0  0  0  0  0
   10.8984    4.5394   -3.5241 C   0  0  0  0  0
    9.3054    4.6968   -2.5676 C   0  0  0  0  0
   12.9919    2.6374   -4.0657 C   0  0  0  0  0
   12.8778    2.7155   -5.5342 N   0  0  0  0  0
   11.4458    2.6780   -5.8897 C   0  0  0  0  0
   13.5593    3.8672   -6.1045 C   0  0  0  0  0
    2.5651    4.2110   -3.0602 H   0  0  0  0  0
    3.0728    5.6441   -2.0934 H   0  0  0  0  0
    1.4010    5.4799   -2.6487 H   0  0  0  0  0
    1.6033    2.8879    1.3052 H   0  0  0  0  0
    3.2966    1.5902    2.5506 H   0  0  0  0  0
    5.5868    1.3801    1.6930 H   0  0  0  0  0
    4.5133    3.6966   -1.7733 H   0  0  0  0  0
    6.7454    4.4411   -1.3821 H   0  0  0  0  0
    9.0888   -0.0855   -0.8169 H   0  0  0  0  0
    6.7897    0.2926   -0.0435 H   0  0  0  0  0
   11.6302    1.3391   -1.4601 H   0  0  0  0  0
   11.8136    3.4831   -1.9214 H   0  0  0  0  0
   10.4355    3.4533   -1.0777 H   0  0  0  0  0
    9.0320    1.8138   -3.6912 H   0  0  0  0  0
    9.2185    3.4042   -4.2930 H   0  0  0  0  0
   10.8951    0.9683   -4.6557 H   0  0  0  0  0
   11.6493    5.1672   -3.0218 H   0  0  0  0  0
   10.7335    4.9389   -4.5299 H   0  0  0  0  0
    9.5033    5.4220   -1.7667 H   0  0  0  0  0
    8.5651    5.1257   -3.2560 H   0  0  0  0  0
   13.4406    1.6758   -3.7920 H   0  0  0  0  0
   13.6024    3.4348   -3.6278 H   0  0  0  0  0
   11.0243    3.6569   -6.1386 H   0  0  0  0  0
   11.2949    2.0424   -6.7688 H   0  0  0  0  0
   13.4710    3.8615   -7.1966 H   0  0  0  0  0
   14.6295    3.8315   -5.8727 H   0  0  0  0  0
   13.1574    4.8154   -5.7303 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 33  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 22  1  0  0  0
 12 13  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 25  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL565206

>  <PubChem CID>
44221508

>  <Formula>
C24H27NO

>  <Molecular Weight>
345.486000

>  <IUPAC Name>


>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C4CCC5C4(CC3)CN(C5)C

>  <Isomeric SMILES>
CC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)[C@@H]4CC[C@H]5[C@]4(CC3)CN(C5)C

>  <InChI Std. ID>
InChI=1S/C24H27NO/c1-16(26)17-4-3-5-18(12-17)19-6-8-22-20(13-19)10-11-24-15-25(2)14-21(24)7-9-23(22)24/h3-6,8,12-13,21,23H,7,9-11,14-15H2,1-2H3/t21-,23+,24+/m1/s1

>  <InChI Key>
AAYGPIMYNPLWPB-NHTMILBNSA-N

