General Information of the Compound
Compound ID
CP0260429
Compound Name
N-(cyclopropylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
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Structure
Formula
C14H14N2O2
Molecular Weight
242.278
Canonical SMILES
O=C(NCC1CC1)c1cc(on1)-c1ccccc1
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InChI
InChI=1S/C14H14N2O2/c17-14(15-9-10-6-7-10)12-8-13(18-16-12)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,15,17)
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InChIKey
DPNGERVUMOHKAM-UHFFFAOYSA-N
Physicochemical Property
logP
2.4814
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 34829688
ChEMBL ID
CHEMBL2152028
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 = 16600 nM
   TI
   LI
   LO
   TS
2
EC50 = 21500 nM
   TI
   LI
   LO
   TS
3
EC50 = 24900 nM
   TI
   LI
   LO
   TS