
 CHEMBL544623

101108  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL544623

>  <PubChem CID>
44360818

>  <Formula>
C51H41N7O2

>  <Molecular Weight>
783.936000

>  <IUPAC Name>
(E)-N-[[1-[3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis[(E)-2-pyridin-4-ylethenyl]phenyl]pyrrol-2-yl]methyl]-3-[6-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]prop-2-enamide

>  <XlogP>
8.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3C=CC4=CC=NC=C4)N5C=CC=C5CNC(=O)C=CC6=CN=C(C=C6)C=CC7=CC=NC=C7)C=CC8=CC=NC=C8)C=C1

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3/C=C/C4=CC=NC=C4)N5C=CC=C5CNC(=O)/C=C/C6=CN=C(C=C6)/C=C/C7=CC=NC=C7)/C=C/C8=CC=NC=C8)C=C1

>  <InChI Std. ID>
InChI=1S/C51H41N7O2/c1-37-7-13-43-4-2-6-49(51(43)57-37)60-36-47-42(14-8-38-21-27-52-28-22-38)15-19-48(46(47)18-11-40-25-31-54-32-26-40)58-33-3-5-45(58)35-56-50(59)20-12-41-10-17-44(55-34-41)16-9-39-23-29-53-30-24-39/h2-34H,35-36H2,1H3,(H,56,59)/b14-8+,16-9+,18-11+,20-12+

>  <InChI Key>
GILVQLPJVQETDU-JZMRWLDYSA-N

