General Information of the Compound
Compound ID
CP0562934
Compound Name
(s)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)-n-(1-p-tolylethyl)acetamide
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Structure
Formula
C20H22N4O2
Molecular Weight
350.422
Canonical SMILES
C[C@H](NC(=O)Cn1nnc2c(C)cc(C)cc2c1=O)c1ccc(C)cc1
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InChI
InChI=1S/C20H22N4O2/c1-12-5-7-16(8-6-12)15(4)21-18(25)11-24-20(26)17-10-13(2)9-14(3)19(17)22-23-24/h5-10,15H,11H2,1-4H3,(H,21,25)/t15-/m0/s1
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InChIKey
XXTTXUGTXWCPFU-HNNXBMFYSA-N
Physicochemical Property
logP
2.59416
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 121349671
ChEMBL ID
CHEMBL4777495
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 = 7 nM
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