General Information of the Compound
Compound ID
CP0544836
Compound Name
N-(1,3-benzothiazol-5-yl)-1,2-benzoxazole-3-carboxamide
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Structure
Formula
C15H9N3O2S
Molecular Weight
295.323
Canonical SMILES
O=C(Nc1ccc2scnc2c1)c1noc2ccccc12
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InChI
InChI=1S/C15H9N3O2S/c19-15(14-10-3-1-2-4-12(10)20-18-14)17-9-5-6-13-11(7-9)16-8-21-13/h1-8H,(H,17,19)
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InChIKey
WBKGICFMSLAEGI-UHFFFAOYSA-N
Physicochemical Property
logP
3.6898
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 168288974
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: PT02791, Hypoxia-inducible factor 1-alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 42 nM
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