
 CHEMBL552543

 79 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL552543

>  <PubChem CID>
10674687

>  <Formula>
C35H36N4O4

>  <Molecular Weight>
576.697000

>  <IUPAC Name>
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]prop-2-enamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)C=CC2=CC=C(C=C2)N3CCCC3=O)C)COC4=CC=CC5=C4N=C(C=C5)C

>  <Isomeric SMILES>
CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O)C)COC4=CC=CC5=C4N=C(C=C5)C

>  <InChI Std. ID>
InChI=1S/C35H36N4O4/c1-23-10-18-30(25(3)29(23)22-43-31-8-5-7-27-15-11-24(2)37-35(27)31)38(4)34(42)21-36-32(40)19-14-26-12-16-28(17-13-26)39-20-6-9-33(39)41/h5,7-8,10-19H,6,9,20-22H2,1-4H3,(H,36,40)/b19-14+

>  <InChI Key>
FIEQAXDVHHHMAH-XMHGGMMESA-N

