
 CHEMBL574450

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL574450

>  <PubChem CID>
45483235

>  <Formula>
C28H33ClN4O3S2

>  <Molecular Weight>
573.167000

>  <IUPAC Name>
N-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl]-N-methyl-4-(thiophen-2-ylmethylamino)piperidine-1-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CC1CCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4CCC(CC4)NCC5=CC=CS5

>  <Isomeric SMILES>
CN(CC1CCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4CCC(CC4)NCC5=CC=CS5

>  <InChI Std. ID>
InChI=1S/C28H33ClN4O3S2/c1-31(28(34)32-16-14-23(15-17-32)30-19-25-6-4-18-37-25)20-24-11-8-21-5-2-3-7-27(21)33(24)38(35,36)26-12-9-22(29)10-13-26/h2-7,9-10,12-13,18,23-24,30H,8,11,14-17,19-20H2,1H3

>  <InChI Key>
QQOGEFBZLDZTLL-UHFFFAOYSA-N

