General Information of the Compound
Compound ID
CP0407062
Compound Name
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]formamide
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Structure
Formula
C15H11ClN2O2
Molecular Weight
286.718
Canonical SMILES
Cc1ccc2oc(nc2c1)-c1cc(NC=O)ccc1Cl
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InChI
InChI=1S/C15H11ClN2O2/c1-9-2-5-14-13(6-9)18-15(20-14)11-7-10(17-8-19)3-4-12(11)16/h2-8H,1H3,(H,17,19)
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InChIKey
ANSVAAPLRZVPSA-UHFFFAOYSA-N
Physicochemical Property
logP
4.02492
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 44282713
ChEMBL ID
CHEMBL289005
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 > 5000 nM
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