General Information of the Compound
Compound ID
CP0204622
Compound Name
5-(2,6-difluoroanilino)benzo[c][2,6]naphthyridine-7-carboxamide
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Structure
Formula
C19H12F2N4O
Molecular Weight
350.328
Canonical SMILES
NC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc21
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InChI
InChI=1S/C19H12F2N4O/c20-14-5-2-6-15(21)17(14)25-19-11-7-8-23-9-13(11)10-3-1-4-12(18(22)26)16(10)24-19/h1-9H,(H2,22,26)(H,24,25)
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InChIKey
WHSNSKLEZGKYLB-UHFFFAOYSA-N
Physicochemical Property
logP
3.9037
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
80.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 57393894
ChEMBL ID
CHEMBL1915651
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 = 100 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000002 K-562 Homo sapiens (Human)  1
1
EC50 = 290 nM
   TI
   LI
   LO
   TS
CL000207 MIA PaCa-2 Homo sapiens (Human)  1
1
EC50 = 440 nM
   TI
   LI
   LO
   TS