General Information of the Compound
Compound ID
CP0389817
Compound Name
4-[(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-oxazolidin-3-yl]-N-methylbenzamide
    Show/Hide
Structure
Formula
C18H13BrN2O5
Molecular Weight
417.215
Canonical SMILES
CNC(=O)c1ccc(cc1)N1C(=O)O\C(=C/c2ccc(O)c(Br)c2)C1=O
    Show/Hide
InChI
InChI=1S/C18H13BrN2O5/c1-20-16(23)11-3-5-12(6-4-11)21-17(24)15(26-18(21)25)9-10-2-7-14(22)13(19)8-10/h2-9,22H,1H3,(H,20,23)/b15-9-
    Show/Hide
InChIKey
XNOWZUMFPKVIIB-DHDCSXOGSA-N
Physicochemical Property
logP
3.0386
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 70693836
ChEMBL ID
CHEMBL2018226
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: PT03321, 17-beta-hydroxysteroid dehydrogenase type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 56 nM
   TI
   LI
   LO
   TS