General Information of the Compound
Compound ID
CP0436569
Compound Name
N-(2-aminophenyl)-4-(1,3-thiazol-2-yl)benzamide
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Structure
Formula
C16H13N3OS
Molecular Weight
295.367
Canonical SMILES
Nc1ccccc1NC(=O)c1ccc(cc1)-c1nccs1
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InChI
InChI=1S/C16H13N3OS/c17-13-3-1-2-4-14(13)19-15(20)11-5-7-12(8-6-11)16-18-9-10-21-16/h1-10H,17H2,(H,19,20)
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InChIKey
QMKZKPHUXAXYLU-UHFFFAOYSA-N
Physicochemical Property
logP
3.6446
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 10193406
ChEMBL ID
CHEMBL256711
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 = 123.03 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 1819.7 nM
   TI
   LI
   LO
   TS