
 CHEMBL542598

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL542598

>  <PubChem CID>
45259970

>  <Formula>
C36H31Cl3N8O4

>  <Molecular Weight>
746.046000

>  <IUPAC Name>
4-[[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-pyridin-4-ylbenzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=NC=C5)Cl)C(=C1)N6C=CN=C6.Cl

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=NC=C5)Cl)C(=C1)N6C=CN=C6.Cl

>  <InChI Std. ID>
InChI=1S/C36H30Cl2N8O4.ClH/c1-22-18-30(46-17-16-40-21-46)26-4-3-5-31(34(26)42-22)50-20-27-28(37)10-11-29(33(27)38)45(2)32(47)19-41-36(49)44-24-8-6-23(7-9-24)35(48)43-25-12-14-39-15-13-25;/h3-18,21H,19-20H2,1-2H3,(H,39,43,48)(H2,41,44,49);1H

>  <InChI Key>
BILOSQNGCXHUNO-UHFFFAOYSA-N

