
 CHEMBL553315

 98104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL553315

>  <PubChem CID>
45262256

>  <Formula>
C43H43ClN6O5

>  <Molecular Weight>
759.304000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3N4CCCC4=O)N5C=CC=C5CNC(=O)C=CC6=CC=C(C=C6)N7CCCC7=O)N8CCCC8=O)C=C1.Cl

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3N4CCCC4=O)N5C=CC=C5CNC(=O)/C=C/C6=CC=C(C=C6)N7CCCC7=O)N8CCCC8=O)C=C1.Cl

>  <InChI Std. ID>
InChI=1S/C43H42N6O5.ClH/c1-29-13-17-31-7-2-9-37(42(31)45-29)54-28-34-35(48-25-5-11-40(48)52)20-21-36(43(34)49-26-6-12-41(49)53)46-23-3-8-33(46)27-44-38(50)22-16-30-14-18-32(19-15-30)47-24-4-10-39(47)51;/h2-3,7-9,13-23H,4-6,10-12,24-28H2,1H3,(H,44,50);1H/b22-16+;

>  <InChI Key>
FELHVZRTSZIUKF-YHLMHSEJSA-N

