General Information of the Compound
Compound ID
CP0342677
Compound Name
2-fluoro-5-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
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Structure
Formula
C14H9FN2O3S
Molecular Weight
304.302
Canonical SMILES
Oc1ccc(F)c(c1)C(=O)Nc1nc2ccc(O)cc2s1
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InChI
InChI=1S/C14H9FN2O3S/c15-10-3-1-7(18)5-9(10)13(20)17-14-16-11-4-2-8(19)6-12(11)21-14/h1-6,18-19H,(H,16,17,20)
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InChIKey
UFBYJINGGRNSFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.0989
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
82.45
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 56929252
SID: 135628042
ChEMBL ID
CHEMBL2170742
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: PT01498, 17-beta-hydroxysteroid dehydrogenase type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 152 nM
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