General Information of the Compound
Compound ID
CP0499306
Compound Name
(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
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Structure
Formula
C10H9ClN2O3
Molecular Weight
240.646
Canonical SMILES
CN(C)C(=O)Oc1noc2ccc(Cl)cc12
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InChI
InChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-5-6(11)3-4-8(7)16-12-9/h3-5H,1-2H3
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InChIKey
FRBDVDNNCKLJFZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.5416
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
55.57
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 2726310
ChEMBL ID
CHEMBL2326179
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 45 nM
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