General Information of the Compound
Compound ID
CP0570694
Compound Name
N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
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Formula
C15H16N6O2
Molecular Weight
312.333
Canonical SMILES
C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccn(C)n1
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InChI
InChI=1S/C15H16N6O2/c1-10(12-7-8-20(2)18-12)16-14(22)9-21-15(23)11-5-3-4-6-13(11)17-19-21/h3-8,10H,9H2,1-2H3,(H,16,22)/t10-/m0/s1
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InChIKey
LZIBTCAHLYITNZ-JTQLQIEISA-N
Physicochemical Property
logP
0.4024
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
94.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
23

"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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ChEMBL ID
CHEMBL4875058
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