General Information of the Compound
Compound ID
CP0578988
Compound Name
(s)-2-(8-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4h)-yl)-n-(1-(4-methoxyphenyl)ethyl)acetamide
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Structure
Formula
C19H20N4O4
Molecular Weight
368.393
Canonical SMILES
COc1ccc(cc1)[C@H](C)NC(=O)Cn1nnc2c(OC)cccc2c1=O
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InChI
InChI=1S/C19H20N4O4/c1-12(13-7-9-14(26-2)10-8-13)20-17(24)11-23-19(25)15-5-4-6-16(27-3)18(15)21-22-23/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1
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InChIKey
QEFZPGDVQARJQX-LBPRGKRZSA-N
Physicochemical Property
logP
1.6861
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
95.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 121349720
ChEMBL ID
CHEMBL4783544
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 = 39 nM
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