
 CHEMBL380260

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL380260

>  <PubChem CID>
11549335

>  <Formula>
C27H32Cl2N4O4S

>  <Molecular Weight>
579.537000

>  <IUPAC Name>
2-[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylamino]-2-methyl-N-(piperidin-4-ylmethyl)propanamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC(C)(C)C(=O)NCC4CCNCC4)Cl)C=C1

>  <Isomeric SMILES>
CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)NC(C)(C)C(=O)NCC4CCNCC4)Cl)C=C1

>  <InChI Std. ID>
InChI=1S/C27H32Cl2N4O4S/c1-17-7-8-19-5-4-6-22(25(19)32-17)37-16-20-21(28)9-10-23(24(20)29)38(35,36)33-27(2,3)26(34)31-15-18-11-13-30-14-12-18/h4-10,18,30,33H,11-16H2,1-3H3,(H,31,34)

>  <InChI Key>
AGMPLVXUBKEAQK-UHFFFAOYSA-N

