General Information of the Compound
Compound ID
CP0577190
Compound Name
N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-1,2-benzoxazole-3-carboxamide
    Show/Hide
Structure
Formula
C18H14N2O3
Molecular Weight
306.321
Canonical SMILES
O=C(Nc1ccc2C(=O)CCCc2c1)c1noc2ccccc12
    Show/Hide
InChI
InChI=1S/C18H14N2O3/c21-15-6-3-4-11-10-12(8-9-13(11)15)19-18(22)17-14-5-1-2-7-16(14)23-20-17/h1-2,5,7-10H,3-4,6H2,(H,19,22)
    Show/Hide
InChIKey
YAKYEYDLXOOGLI-UHFFFAOYSA-N
Physicochemical Property
logP
3.5991
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
72.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 168283652
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 = 640 nM
   TI
   LI
   LO
   TS