General Information of the Compound
Compound ID
CP0533878
Compound Name
(s)-(1-(2,4-dimethoxyphenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)acetamide
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Structure
Formula
C19H20N4O4
Molecular Weight
368.393
Canonical SMILES
COc1ccc([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)c(OC)c1
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InChI
InChI=1S/C19H20N4O4/c1-12(14-9-8-13(26-2)10-17(14)27-3)20-18(24)11-23-19(25)15-6-4-5-7-16(15)21-22-23/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1
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InChIKey
SJQFFAMTFHKEGM-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: 121349753
ChEMBL ID
CHEMBL4792136
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)  2
1
EC50 = 67 nM
   TI
   LI
   LO
   TS
2
EC50 = 91 nM
   TI
   LI
   LO
   TS