
 CHEMBL196567

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL196567

>  <PubChem CID>
11655872

>  <Formula>
C23H23Cl2N3O4

>  <Molecular Weight>
476.354000

>  <IUPAC Name>
2-[[6-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methylquinolin-2-yl]-methylamino]ethyl acetate

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)N(C)CCOC(=O)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl)N(C)CCOC(=O)C

>  <InChI Std. ID>
InChI=1S/C23H23Cl2N3O4/c1-14-10-22(28(3)8-9-31-15(2)29)27-20-6-5-17(12-18(14)20)26-23(30)13-32-21-7-4-16(24)11-19(21)25/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,30)

>  <InChI Key>
DTUSYZOXNYGOKX-UHFFFAOYSA-N

