General Information of the Compound
Compound ID
CP0161270
Compound Name
N-(2-aminophenyl)-4-(3-cyanopyridin-2-yl)benzamide
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Structure
Formula
C19H14N4O
Molecular Weight
314.348
Canonical SMILES
Nc1ccccc1NC(=O)c1ccc(cc1)-c1ncccc1C#N
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InChI
InChI=1S/C19H14N4O/c20-12-15-4-3-11-22-18(15)13-7-9-14(10-8-13)19(24)23-17-6-2-1-5-16(17)21/h1-11H,21H2,(H,23,24)
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InChIKey
ZQPGFKNMOSRNOQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.45478
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
91.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 11544171
SID: 16646346
ChEMBL ID
CHEMBL257176
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 12.3 nM
   TI
   LI
   LO
   TS