
 CHEMBL140383

 78 82  0  0  0  0  0  0  0  0999 V2000
    1.1143    0.7271    2.3144 C   0  0  0  0  0
    2.4802    0.4639    1.7326 C   0  0  0  0  0
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    7.1469    0.5553   -4.2878 C   0  0  0  0  0
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    1.0884    1.6750    2.8645 H   0  0  0  0  0
    5.5775    1.8570    1.8180 H   0  0  0  0  0
    3.3154    2.2424    2.6417 H   0  0  0  0  0
    7.1402   -0.6207    2.4914 H   0  0  0  0  0
    9.5342   -0.8737    1.9768 H   0  0  0  0  0
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    8.7659   -0.0983   -2.1493 H   0  0  0  0  0
    5.1532    0.7605   -1.6728 H   0  0  0  0  0
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    6.4498    1.9575   -3.0701 H   0  0  0  0  0
    6.9390   -1.6201   -3.8674 H   0  0  0  0  0
    8.9475   -0.4502   -5.8915 H   0  0  0  0  0
   10.9792   -1.8866   -5.7296 H   0  0  0  0  0
   11.9375   -4.1107   -6.0809 H   0  0  0  0  0
    8.0217   -5.8661   -5.7173 H   0  0  0  0  0
    7.0400   -3.6239   -5.4372 H   0  0  0  0  0
   12.0020   -7.8803   -5.6912 H   0  0  0  0  0
   13.0452   -5.4009   -4.7474 H   0  0  0  0  0
   13.2717   -7.0128   -4.0499 H   0  0  0  0  0
   11.8324   -6.0505   -3.5973 H   0  0  0  0  0
    5.5050   -2.5437    0.0328 H   0  0  0  0  0
    4.2492   -2.2149   -1.1720 H   0  0  0  0  0
    3.8977   -3.1091    0.3382 H   0  0  0  0  0
    1.0168   -1.8288    1.3839 H   0  0  0  0  0
    1.9032   -2.5389    0.1092 H   0  0  0  0  0
    0.1995    1.2350   -1.6098 H   0  0  0  0  0
    0.4699    1.6979   -4.0267 H   0  0  0  0  0
    1.3923   -0.0395   -5.5108 H   0  0  0  0  0
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    3.8040   -5.4511   -2.4670 H   0  0  0  0  0
  1  2  1  0  0  0
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 43 78  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL140383

>  <PubChem CID>
9894265

>  <Formula>
C37H35N3O3

>  <Molecular Weight>
569.705000

>  <IUPAC Name>
4-[(E)-3-[[2-[2,4-dimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]phenyl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=C(C=C1)C2=CC=CC=C2CNC(=O)C=CC3=CC=C(C=C3)C(=O)NC)C)COC4=CC=CC5=C4N=C(C=C5)C

>  <Isomeric SMILES>
CC1=C(C(=C(C=C1)C2=CC=CC=C2CNC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC)C)COC4=CC=CC5=C4N=C(C=C5)C

>  <InChI Std. ID>
InChI=1S/C37H35N3O3/c1-24-12-20-31(26(3)33(24)23-43-34-11-7-9-28-17-13-25(2)40-36(28)34)32-10-6-5-8-30(32)22-39-35(41)21-16-27-14-18-29(19-15-27)37(42)38-4/h5-21H,22-23H2,1-4H3,(H,38,42)(H,39,41)/b21-16+

>  <InChI Key>
AFUNWCBOHPULNY-LTGZKZEYSA-N

