General Information of the Compound
Compound ID
CP0408882
Compound Name
N-[4-[(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-oxazolidin-3-yl]phenyl]cyclohexanecarboxamide
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Structure
Formula
C23H21BrN2O5
Molecular Weight
485.334
Canonical SMILES
Oc1ccc(\C=C2/OC(=O)N(C2=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1Br
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InChI
InChI=1S/C23H21BrN2O5/c24-18-12-14(6-11-19(18)27)13-20-22(29)26(23(30)31-20)17-9-7-16(8-10-17)25-21(28)15-4-2-1-3-5-15/h6-13,15,27H,1-5H2,(H,25,28)/b20-13-
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InChIKey
ACBAWLWNKPTRPW-MOSHPQCFSA-N
Physicochemical Property
logP
5.1978
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
95.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 70691777
ChEMBL ID
CHEMBL2018232
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 = 21 nM
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