General Information of the Compound
Compound ID
CP0463744
Compound Name
methyl N-[4-methoxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamate
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Structure
Formula
C17H16N2O4
Molecular Weight
312.325
Canonical SMILES
COC(=O)Nc1ccc(OC)c(c1)-c1nc2cc(C)ccc2o1
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InChI
InChI=1S/C17H16N2O4/c1-10-4-6-15-13(8-10)19-16(23-15)12-9-11(18-17(20)22-3)5-7-14(12)21-2/h4-9H,1-3H3,(H,18,20)
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InChIKey
HVUKSIDSDJXZGN-UHFFFAOYSA-N
Physicochemical Property
logP
3.99012
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
73.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 44282854
ChEMBL ID
CHEMBL35211
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: PT06121, 1-acyl-sn-glycerol-3-phosphate acyltransferase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 64000 nM
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