General Information of the Compound
Compound ID
CP0544835
Compound Name
N-(3-phenylphenyl)-1,2-benzoxazole-3-carboxamide
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Structure
Formula
C20H14N2O2
Molecular Weight
314.344
Canonical SMILES
O=C(Nc1cccc(c1)-c1ccccc1)c1noc2ccccc12
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InChI
InChI=1S/C20H14N2O2/c23-20(19-17-11-4-5-12-18(17)24-22-19)21-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,21,23)
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InChIKey
ZVPVVCXXMTVOMH-UHFFFAOYSA-N
Physicochemical Property
logP
4.7471
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 168282697
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 = 1700 nM
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