General Information of the Compound
Compound ID
CP0568035
Compound Name
N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
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Structure
Formula
C18H16N4O2
Molecular Weight
320.352
Canonical SMILES
O=C(Cn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1
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InChI
InChI=1S/C18H16N4O2/c23-17(19-14-9-12-5-1-2-6-13(12)10-14)11-22-18(24)15-7-3-4-8-16(15)20-21-22/h1-8,14H,9-11H2,(H,19,23)
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InChIKey
WDGONOGWBLLRJB-UHFFFAOYSA-N
Physicochemical Property
logP
1.0751
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 39333895
ChEMBL ID
CHEMBL4855968
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