
 CHEMBL538732

 69 71  0  0  0  0  0  0  0  0999 V2000
    7.8925    1.8960    1.4538 C   0  0  0  0  0
    7.0832    1.4349    0.2892 C   0  0  0  0  0
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    6.1889   -5.4654   -3.1836 Cl  0  0  0  0  0
    6.9392    4.0968   -1.0042 Br  0  0  0  0  0
   -4.3828   -0.3999   -1.5812 Cl  0  0  0  0  0
    8.1053    1.0449    2.1340 H   0  0  0  0  0
    7.3298    2.6730    2.0122 H   0  0  0  0  0
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    5.3146    2.7288   -3.1563 H   0  0  0  0  0
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    6.1527   -7.3747    3.2663 H   0  0  0  0  0
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    3.2268   -5.5052    5.0201 H   0  0  0  0  0
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    0.7638   -5.9568    3.5885 H   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL538732

>  <PubChem CID>
18923352

>  <Formula>
C29H27BrCl3N5O4

>  <Molecular Weight>
695.820000

>  <IUPAC Name>
4-[(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-methylbenzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <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)C(=O)NC)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)C(=O)NC)Cl)Br.Cl

>  <InChI Std. ID>
InChI=1S/C29H26BrCl2N5O4.ClH/c1-17-27(30)37-14-4-5-23(28(37)35-17)41-16-20-21(31)11-12-22(26(20)32)36(3)25(39)15-34-24(38)13-8-18-6-9-19(10-7-18)29(40)33-2;/h4-14H,15-16H2,1-3H3,(H,33,40)(H,34,38);1H/b13-8+;

>  <InChI Key>
CMEYURXQZDMCTC-FNXZNAJJSA-N

