General Information of the Compound
Compound ID
CP0400330
Compound Name
3-(6-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)-N-phenylpropanamide
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Structure
Formula
C16H13ClN2O3
Molecular Weight
316.744
Canonical SMILES
Clc1ccc2n(CCC(=O)Nc3ccccc3)c(=O)oc2c1
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InChI
InChI=1S/C16H13ClN2O3/c17-11-6-7-13-14(10-11)22-16(21)19(13)9-8-15(20)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,20)
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InChIKey
IFGADUDXQDUHBO-UHFFFAOYSA-N
Physicochemical Property
logP
3.2767
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
64.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 2988969
SID: 87460691
ChEMBL ID
CHEMBL577499
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: PT03525, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 19000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS