General Information of the Compound
Compound ID
CP0075279
Compound Name
5-(2-chloroanilino)-N-ethylbenzo[c][2,6]naphthyridine-7-carboxamide
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Structure
Formula
C21H17ClN4O
Molecular Weight
376.847
Canonical SMILES
CCNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
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InChI
InChI=1S/C21H17ClN4O/c1-2-24-21(27)15-7-5-6-13-16-12-23-11-10-14(16)20(26-19(13)15)25-18-9-4-3-8-17(18)22/h3-12H,2H2,1H3,(H,24,27)(H,25,26)
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InChIKey
FOPGQICEKPAAOV-UHFFFAOYSA-N
Physicochemical Property
logP
4.9297
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
66.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 57392127
ChEMBL ID
CHEMBL1915646
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: PT01301, Bcl2-associated agonist of cell death
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000091 MV4-11 Homo sapiens (Human)  1
1
EC50 = 210 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
EC50 = 2420 nM
   TI
   LI
   LO
   TS
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
EC50 = 2120 nM
   TI
   LI
   LO
   TS