General Information of the Compound
Compound ID
CP0564865
Compound Name
N-(4-chlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
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Structure
Formula
C15H11ClN4O2
Molecular Weight
314.732
Canonical SMILES
Clc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1
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InChI
InChI=1S/C15H11ClN4O2/c16-10-5-7-11(8-6-10)17-14(21)9-20-15(22)12-3-1-2-4-13(12)18-19-20/h1-8H,9H2,(H,17,21)
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InChIKey
FJCKNFUOMJEEFR-UHFFFAOYSA-N
Physicochemical Property
logP
2.0836
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 2714534
ChEMBL ID
CHEMBL4878791
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: PT06277, Probable G-protein coupled receptor 139
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000308 T-REx-CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS