
 CHEMBL540840

 70 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL540840

>  <PubChem CID>
18923431

>  <Formula>
C28H27BrCl4N6O4

>  <Molecular Weight>
733.266000

>  <IUPAC Name>
(E)-3-(6-acetamidopyridin-3-yl)-N-[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]prop-2-enamide;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C28H25BrCl2N6O4.2ClH/c1-16-27(29)37-12-4-5-22(28(37)34-16)41-15-19-20(30)8-9-21(26(19)31)36(3)25(40)14-33-24(39)11-7-18-6-10-23(32-13-18)35-17(2)38;;/h4-13H,14-15H2,1-3H3,(H,33,39)(H,32,35,38);2*1H/b11-7+;;

>  <InChI Key>
BMCGLVCNVUMJNU-FCVAESPPSA-N

