General Information of the Compound
Compound ID
CP0564868
Compound Name
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
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Structure
Formula
C19H18N4O2
Molecular Weight
334.379
Canonical SMILES
O=C(Cn1nnc2ccccc2c1=O)NC1CCCc2ccccc12
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InChI
InChI=1S/C19H18N4O2/c24-18(20-16-11-5-7-13-6-1-2-8-14(13)16)12-23-19(25)15-9-3-4-10-17(15)21-22-23/h1-4,6,8-10,16H,5,7,11-12H2,(H,20,24)
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InChIKey
OLXIJKVPWNPBOQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.9853
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 2998350
ChEMBL ID
CHEMBL1460960
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 = 66 nM
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