
 CHEMBL3809628

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

>  <Chemical Name>
CHEMBL3809628

>  <PubChem CID>
127043233

>  <Formula>
C30H21ClN2O4

>  <Molecular Weight>
508.958000

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

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C=CC(=O)OCC3=CC=CC(=C3)C=CC4=NC5=C(C=CC(=C5)Cl)C=C4

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=C(N2)C(=O)O)/C=C/C(=O)OCC3=CC=CC(=C3)/C=C/C4=NC5=C(C=CC(=C5)Cl)C=C4

>  <InChI Std. ID>
InChI=1S/C30H21ClN2O4/c31-22-11-9-21-10-13-23(32-27(21)17-22)12-8-19-4-3-5-20(16-19)18-37-28(34)15-14-25-24-6-1-2-7-26(24)33-29(25)30(35)36/h1-17,33H,18H2,(H,35,36)/b12-8+,15-14+

>  <InChI Key>
NJFATHWGHKUXIF-CCQVQAEASA-N

