General Information of the Compound
Compound ID
CP0271056
Compound Name
N-(4-hydroxybutyl)-5-phenyl-1,2-oxazole-3-carboxamide
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Structure
Formula
C14H16N2O3
Molecular Weight
260.293
Canonical SMILES
OCCCCNC(=O)c1cc(on1)-c1ccccc1
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InChI
InChI=1S/C14H16N2O3/c17-9-5-4-8-15-14(18)12-10-13(19-16-12)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,18)
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InChIKey
CZFQGFWDWGRJMB-UHFFFAOYSA-N
Physicochemical Property
logP
1.8439
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44602318
ChEMBL ID
CHEMBL2152027
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
CL000043 U2OS Homo sapiens (Human)  3
1
EC50 = 3040 nM
   TI
   LI
   LO
   TS
2
EC50 = 7570 nM
   TI
   LI
   LO
   TS
3
EC50 = 22000 nM
   TI
   LI
   LO
   TS