
 CHEMBL538531

 72 74  0  0  0  0  0  0  0  0999 V2000
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   -6.7161   -6.7373    8.8112 C   0  0  0  0  0
    5.9018   -8.5552   -4.2255 Cl  0  0  0  0  0
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    0.3001    3.2512    1.1803 Cl  0  0  0  0  0
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    0.7123   -5.5253    4.7012 H   0  0  0  0  0
    0.9209   -2.9520    6.3352 H   0  0  0  0  0
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    1.0717    2.1988    1.6154 H   0  0  0  0  0
  1  2  1  0  0  0
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 43 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538531

>  <PubChem CID>
18923606

>  <Formula>
C30H29BrCl3N5O4

>  <Molecular Weight>
709.847000

>  <IUPAC Name>
(E)-3-[4-[acetyl(methyl)amino]phenyl]-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)N(C)C(=O)C)Cl)Br.Cl

>  <Isomeric SMILES>
CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)N(C)C(=O)C)Cl)Br.Cl

>  <InChI Std. ID>
InChI=1S/C30H28BrCl2N5O4.ClH/c1-18-29(31)38-15-5-6-25(30(38)35-18)42-17-22-23(32)12-13-24(28(22)33)37(4)27(41)16-34-26(40)14-9-20-7-10-21(11-8-20)36(3)19(2)39;/h5-15H,16-17H2,1-4H3,(H,34,40);1H/b14-9+;

>  <InChI Key>
FKQBPGYDZNKKET-KYIGKLDSSA-N

