General Information of the Compound
Compound ID
CP0544833
Compound Name
N-[4-(dimethylamino)phenyl]-1,2-benzoxazole-3-carboxamide
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Structure
Formula
C16H15N3O2
Molecular Weight
281.315
Canonical SMILES
CN(C)c1ccc(NC(=O)c2noc3ccccc23)cc1
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InChI
InChI=1S/C16H15N3O2/c1-19(2)12-9-7-11(8-10-12)17-16(20)15-13-5-3-4-6-14(13)21-18-15/h3-10H,1-2H3,(H,17,20)
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InChIKey
AFVFBXTUFOBKBU-UHFFFAOYSA-N
Physicochemical Property
logP
3.1461
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
58.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 165412814
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 = 24 nM
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