General Information of the Compound
Compound ID
CP0311444
Compound Name
N-(4-chlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure
Formula
C16H15ClN2O2
Molecular Weight
302.761
Canonical SMILES
Clc1ccc(NC(=O)c2cc3CCCCc3[nH]c2=O)cc1
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InChI
InChI=1S/C16H15ClN2O2/c17-11-5-7-12(8-6-11)18-15(20)13-9-10-3-1-2-4-14(10)19-16(13)21/h5-9H,1-4H2,(H,18,20)(H,19,21)
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InChIKey
LUANIKSKIFLALG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1594
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 1509818
ChEMBL ID
CHEMBL1645307
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS