
 CHEMBL3983235

 50 55  0  0  0  0  0  0  0  0999 V2000
    2.4504   -1.2695   -0.3043 C   0  0  0  0  0
    2.1193   -0.0665    0.3793 O   0  0  0  0  0
    2.8558    1.0355    0.0423 C   0  0  0  0  0
    2.2731    2.2588    0.3725 C   0  0  0  0  0
    2.9280    3.4663    0.0927 C   0  0  0  0  0
    4.1741    3.4588   -0.5582 C   0  0  0  0  0
    4.7680    2.2196   -0.8489 C   0  0  0  0  0
    4.1158    1.0184   -0.5520 C   0  0  0  0  0
    4.9104    4.7624   -0.8775 C   0  0  0  0  0
    5.2874    4.8260   -2.3968 C   0  0  0  0  0
    5.7351    6.1977   -2.7865 C   0  0  0  0  0
    5.5752    7.2725   -1.9335 C   0  0  0  0  0
    4.9870    7.2208   -0.5521 C   0  0  0  0  0
    4.1671    5.9944   -0.4913 N   0  0  0  0  0
    3.3547    5.8487    0.7056 C   0  0  0  0  0
    2.2886    4.7760    0.4664 C   0  0  0  0  0
    6.0547    7.2889    0.5191 C   0  0  0  0  0
    6.4720    8.6248    1.0941 C   0  0  0  0  0
    5.7499    7.6349    1.9594 C   0  0  0  0  0
    6.0344    8.3909   -2.5695 N   0  0  0  0  0
    6.4706    8.0631   -3.8376 C   0  0  0  0  0
    6.9919    8.8742   -4.8508 C   0  0  0  0  0
    7.3394    8.2625   -6.0602 C   0  0  0  0  0
    7.1741    6.8912   -6.2450 C   0  0  0  0  0
    6.6541    6.0911   -5.2226 C   0  0  0  0  0
    6.2944    6.6836   -3.9957 C   0  0  0  0  0
    1.6882   -2.0141   -0.0558 H   0  0  0  0  0
    3.4168   -1.6595    0.0296 H   0  0  0  0  0
    2.4358   -1.1257   -1.3901 H   0  0  0  0  0
    1.2983    2.2669    0.8551 H   0  0  0  0  0
    5.7568    2.1760   -1.3008 H   0  0  0  0  0
    4.6239    0.0889   -0.7830 H   0  0  0  0  0
    5.8346    4.7151   -0.2856 H   0  0  0  0  0
    4.4195    4.5565   -3.0123 H   0  0  0  0  0
    6.0866    4.1091   -2.6190 H   0  0  0  0  0
    4.3121    8.0823   -0.4515 H   0  0  0  0  0
    2.8377    6.7881    0.9346 H   0  0  0  0  0
    3.9652    5.5798    1.5757 H   0  0  0  0  0
    1.6920    4.6608    1.3788 H   0  0  0  0  0
    1.6104    5.0815   -0.3405 H   0  0  0  0  0
    6.8569    6.5794    0.3418 H   0  0  0  0  0
    5.9309    9.5179    0.8039 H   0  0  0  0  0
    7.5272    8.7868    1.2839 H   0  0  0  0  0
    6.3144    7.1129    2.7249 H   0  0  0  0  0
    4.7320    7.8694    2.2462 H   0  0  0  0  0
    6.0395    9.3252   -2.1850 H   0  0  0  0  0
    7.1174    9.9440   -4.7145 H   0  0  0  0  0
    7.7406    8.8676   -6.8698 H   0  0  0  0  0
    7.4464    6.4371   -7.1946 H   0  0  0  0  0
    6.5209    5.0250   -5.3764 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  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 14  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  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 25 26  2  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3983235

>  <PubChem CID>
134157463

>  <Formula>
C23H24N2O

>  <Molecular Weight>
344.458000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C3CC4=C(C(N3CC2)C5CC5)NC6=CC=CC=C46

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C3CC4=C(C(N3CC2)C5CC5)NC6=CC=CC=C46

>  <InChI Std. ID>
InChI=1S/C23H24N2O/c1-26-16-8-9-17-15(12-16)10-11-25-21(17)13-19-18-4-2-3-5-20(18)24-22(19)23(25)14-6-7-14/h2-5,8-9,12,14,21,23-24H,6-7,10-11,13H2,1H3

>  <InChI Key>
AGQZXXPCICVVIE-UHFFFAOYSA-N

