
 CHEMBL380510

 73 76  0  0  0  0  0  0  0  0999 V2000
    6.8720    4.5419   -1.8067 C   0  0  0  0  0
    5.3812    4.5640   -2.0360 C   0  0  0  0  0
    4.8648    5.7552   -2.5970 C   0  0  0  0  0
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    2.2678    0.0737   -2.2030 C   0  0  0  0  0
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    3.3736   -5.0037   -1.9095 C   0  0  0  0  0
    2.6756   -5.1434   -3.0693 F   0  0  0  0  0
    4.6196   -4.5878   -2.2667 F   0  0  0  0  0
    3.5303   -6.2650   -1.4159 F   0  0  0  0  0
    1.4040   -4.0536    2.6582 C   0  0  0  0  0
    0.8836   -5.3109    2.6908 F   0  0  0  0  0
    2.4936   -4.0773    3.4753 F   0  0  0  0  0
    0.4905   -3.2539    3.2750 F   0  0  0  0  0
    7.2992    3.5550   -2.0026 H   0  0  0  0  0
    7.0965    4.8553   -0.7815 H   0  0  0  0  0
    7.3857    5.2387   -2.4790 H   0  0  0  0  0
    5.5338    6.5795   -2.8404 H   0  0  0  0  0
    3.1361    6.8215   -3.3137 H   0  0  0  0  0
    1.5765    4.9807   -2.7405 H   0  0  0  0  0
    2.3923    2.9577   -1.6987 H   0  0  0  0  0
    7.1291    1.0605    1.3109 H   0  0  0  0  0
    6.2690    3.1451    0.3707 H   0  0  0  0  0
    8.3738   -1.1019   -0.0016 H   0  0  0  0  0
    7.3436   -2.1172   -1.0321 H   0  0  0  0  0
    8.9765   -3.5139    0.1558 H   0  0  0  0  0
    8.5109   -2.8256    1.7178 H   0  0  0  0  0
    5.1363   -4.4012    1.6030 H   0  0  0  0  0
    6.1559   -3.3422    2.5884 H   0  0  0  0  0
    5.0535   -2.7293   -0.2002 H   0  0  0  0  0
    4.4865   -2.0352    1.3477 H   0  0  0  0  0
    7.9461   -5.0366    2.6635 H   0  0  0  0  0
    8.5134   -5.7533    1.1396 H   0  0  0  0  0
    6.8962   -6.1177    1.7244 H   0  0  0  0  0
    3.8737    0.1301   -4.3493 H   0  0  0  0  0
    4.8394    1.5282   -3.8276 H   0  0  0  0  0
    3.1037    1.7214   -4.2066 H   0  0  0  0  0
    3.0628    0.4211    0.7927 H   0  0  0  0  0
    1.3826    0.6109    1.1970 H   0  0  0  0  0
    2.0920    1.6959    0.0294 H   0  0  0  0  0
   -0.2690   -0.8686   -1.6455 H   0  0  0  0  0
   -0.1120    0.8533   -1.2624 H   0  0  0  0  0
   -0.3715   -0.3278    0.0269 H   0  0  0  0  0
    1.1291   -1.5762    1.6035 H   0  0  0  0  0
    2.5000   -5.5274    0.6419 H   0  0  0  0  0
    2.7966   -2.4077   -2.2970 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
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  4  5  2  0  0  0
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  6  7  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL380510

>  <PubChem CID>
44409023

>  <Formula>
C30H32F6N4O

>  <Molecular Weight>
578.603000

>  <IUPAC Name>
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-2-yl]propanamide

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=CC=CC=C1C2=C(N=C(C=C2)N3CCN(CC3)C)N(C)C(=O)C(C)(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=C(N=C(C=C2)N3CCN(CC3)C)N(C)C(=O)C(C)(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-10-11-25(40-14-12-38(4)13-15-40)37-26(24)39(5)27(41)28(2,3)20-16-21(29(31,32)33)18-22(17-20)30(34,35)36/h6-11,16-18H,12-15H2,1-5H3

>  <InChI Key>
ANPYOUVKUYVENR-UHFFFAOYSA-N

