
 CHEMBL203804

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL203804

>  <PubChem CID>
44407951

>  <Formula>
C23H27Cl2N5O

>  <Molecular Weight>
460.403000

>  <IUPAC Name>
2-(2,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]acetamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CNC3=C(C=C(C=C3)Cl)Cl)N(C)CCN(C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CNC3=C(C=C(C=C3)Cl)Cl)N(C)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C23H27Cl2N5O/c1-15-11-22(30(4)10-9-29(2)3)28-20-8-6-17(13-18(15)20)27-23(31)14-26-21-7-5-16(24)12-19(21)25/h5-8,11-13,26H,9-10,14H2,1-4H3,(H,27,31)

>  <InChI Key>
ABHLVXSUCSLTLA-UHFFFAOYSA-N

