
 CHEMBL553844

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

>  <Chemical Name>
CHEMBL553844

>  <PubChem CID>
18923711

>  <Formula>
C28H27BrCl4N6O4

>  <Molecular Weight>
733.266000

>  <IUPAC Name>
5-[(E)-3-[[2-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichloro-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylpyridine-2-carboxamide;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)C(=O)NC)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)C(=O)NC)Cl)Br.Cl.Cl

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

>  <InChI Key>
BYWWEFSQWUWBCX-FCVAESPPSA-N

