General Information of the Compound
Compound ID
CP0389803
Compound Name
(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-pyridin-2-yl-1,3-oxazolidine-2,4-dione
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Structure
Formula
C15H9BrN2O4
Molecular Weight
361.151
Canonical SMILES
Oc1ccc(\C=C2/OC(=O)N(C2=O)c2ccccn2)cc1Br
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InChI
InChI=1S/C15H9BrN2O4/c16-10-7-9(4-5-11(10)19)8-12-14(20)18(15(21)22-12)13-3-1-2-6-17-13/h1-8,19H/b12-8-
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InChIKey
BNWXZHFAZVOSHI-WQLSENKSSA-N
Physicochemical Property
logP
3.074
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
79.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 70689641
ChEMBL ID
CHEMBL2018236
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 = 74 nM
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