General Information of the Compound
Compound ID
CP0577221
Compound Name
N-(3-chlorophenyl)-1,2-benzoxazole-3-carboxamide
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Structure
Formula
C14H9ClN2O2
Molecular Weight
272.691
Canonical SMILES
Clc1cccc(NC(=O)c2noc3ccccc23)c1
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InChI
InChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)16-14(18)13-11-6-1-2-7-12(11)19-17-13/h1-8H,(H,16,18)
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InChIKey
WLZWDPXOEVVKCT-UHFFFAOYSA-N
Physicochemical Property
logP
3.7335
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 167437417
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 = 250 nM
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