General Information of the Compound
Compound ID
CP0408885
Compound Name
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one
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Structure
Formula
C18H15NO5S
Molecular Weight
357.387
Canonical SMILES
COc1ccc(cc1)N1C(=S)O\C(=C/c2ccc(O)c(OC)c2)C1=O
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InChI
InChI=1S/C18H15NO5S/c1-22-13-6-4-12(5-7-13)19-17(21)16(24-18(19)25)10-11-3-8-14(20)15(9-11)23-2/h3-10,20H,1-2H3/b16-10-
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InChIKey
XPZPLZUWTSQULW-YBEGLDIGSA-N
Physicochemical Property
logP
3.0986
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
68.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 70693838
ChEMBL ID
CHEMBL2018248
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 = 270 nM
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