General Information of the Compound
Compound ID
CP0969652
Compound Name
(Z)-5-((5-(benzo[d]oxazol-2-ylthio)furan-2-yl)methylene)-3-isopropylthiazolidine-2,4-dione
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Structure
Formula
C18H14N2O4S2
Molecular Weight
386.454
Canonical SMILES
CC(C)N1C(=O)S/C(=C\c2ccc(Sc3nc4ccccc4o3)o2)C1=O
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InChI
InChI=1S/C18H14N2O4S2/c1-10(2)20-16(21)14(25-18(20)22)9-11-7-8-15(23-11)26-17-19-12-5-3-4-6-13(12)24-17/h3-10H,1-2H3/b14-9-
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InChIKey
CWYKAWUOEOBMHQ-ZROIWOOFSA-N
Physicochemical Property
logP
5.0167
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
76.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
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).

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PubChem ID
CID: 121395593
ChEMBL ID
CHEMBL4591315
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: PT04664, Myc proto-oncogene protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 9390 nM
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