General Information of the Compound
Compound ID
CP0489671
Compound Name
6,8-dichloro-N-[2-(2-chloro-4-sulfamoylanilino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
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Structure
Formula
C18H17Cl3N4O4S
Molecular Weight
491.784
Canonical SMILES
NS(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1
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InChI
InChI=1S/C18H17Cl3N4O4S/c19-11-6-10-2-1-5-25(17(10)14(21)7-11)18(27)23-9-16(26)24-15-4-3-12(8-13(15)20)30(22,28)29/h3-4,6-8H,1-2,5,9H2,(H,23,27)(H,24,26)(H2,22,28,29)
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InChIKey
IDOMXDKGBODJOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.3951
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
121.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46882964
ChEMBL ID
CHEMBL1078252
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000247 MT-4 Homo sapiens (Human)  1
1
IC50 = 336 nM
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