General Information of the Compound
Compound ID
CP0403707
Compound Name
(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
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Structure
Formula
C17H14BrNO4
Molecular Weight
376.206
Canonical SMILES
COc1ccc(cc1)N1C\C(OC1=O)=C\c1ccc(O)c(Br)c1
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InChI
InChI=1S/C17H14BrNO4/c1-22-13-5-3-12(4-6-13)19-10-14(23-17(19)21)8-11-2-7-16(20)15(18)9-11/h2-9,20H,10H2,1H3/b14-8-
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InChIKey
UWJJWSYQUWXRDZ-ZSOIEALJSA-N
Physicochemical Property
logP
4.161
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 57396102
ChEMBL ID
CHEMBL1934488
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 = 670 nM
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