
 CHEMBL538281

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL538281

>  <PubChem CID>
10580536

>  <Formula>
C28H26BrCl2N5O5S

>  <Molecular Weight>
695.410000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <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)NS(=O)(=O)C)Cl)Br

>  <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)NS(=O)(=O)C)Cl)Br

>  <InChI Std. ID>
InChI=1S/C28H26BrCl2N5O5S/c1-17-27(29)36-14-4-5-23(28(36)33-17)41-16-20-21(30)11-12-22(26(20)31)35(2)25(38)15-32-24(37)13-8-18-6-9-19(10-7-18)34-42(3,39)40/h4-14,34H,15-16H2,1-3H3,(H,32,37)/b13-8+

>  <InChI Key>
ADUFOLJVECWGCS-MDWZMJQESA-N

