General Information of the Compound
Compound ID
CP0309109
Compound Name
3-hydroxy-N-(6-hydroxy-1,3-benzothiazol-2-yl)benzamide
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Structure
Formula
C14H10N2O3S
Molecular Weight
286.312
Canonical SMILES
Oc1cccc(c1)C(=O)Nc1nc2ccc(O)cc2s1
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InChI
InChI=1S/C14H10N2O3S/c17-9-3-1-2-8(6-9)13(19)16-14-15-11-5-4-10(18)7-12(11)20-14/h1-7,17-18H,(H,15,16,19)
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InChIKey
XGCKLYXJNJVNJZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9598
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
82.45
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 56929343
SID: 135628146
ChEMBL ID
CHEMBL2170758
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 = 245 nM
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