General Information of the Compound
Compound ID
CP0567862
Compound Name
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylphenyl)ethyl]acetamide
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Formula
C23H20N4O2
Molecular Weight
384.439
Canonical SMILES
O=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C23H20N4O2/c28-22(16-27-23(29)20-8-4-5-9-21(20)25-26-27)24-15-14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13H,14-16H2,(H,24,28)
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InChIKey
YCWMXSDIMIORQX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8174
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
76.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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
CHEMBL4869485
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 = 85 nM
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