
 CHEMBL3808623

 58 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3808623

>  <PubChem CID>
127043252

>  <Formula>
C30H19Cl3N2O4

>  <Molecular Weight>
577.842000

>  <IUPAC Name>
4,6-dichloro-3-[(E)-3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methoxy]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid

>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC(=C1)COC(=O)C=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

>  <Isomeric SMILES>
C1=CC(=CC(=C1)COC(=O)/C=C/C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

>  <InChI Std. ID>
InChI=1S/C30H19Cl3N2O4/c31-20-7-5-19-6-9-22(34-25(19)14-20)8-4-17-2-1-3-18(12-17)16-39-27(36)11-10-23-28-24(33)13-21(32)15-26(28)35-29(23)30(37)38/h1-15,35H,16H2,(H,37,38)/b8-4+,11-10+

>  <InChI Key>
UCASXYXKIOSALC-IBYINHFXSA-N

