General Information of the Compound
Compound ID
CP0510027
Compound Name
(2-aminophenyl)-(1-phenyltriazol-4-yl)methanone
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Structure
Formula
C15H12N4O
Molecular Weight
264.288
Canonical SMILES
Nc1ccccc1C(=O)c1cn(nn1)-c1ccccc1
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InChI
InChI=1S/C15H12N4O/c16-13-9-5-4-8-12(13)15(20)14-10-19(18-17-14)11-6-2-1-3-7-11/h1-10H,16H2
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InChIKey
KOOJVECNAFOIHC-UHFFFAOYSA-N
Physicochemical Property
logP
2.0805
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
73.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 71681842
ChEMBL ID
CHEMBL2381357
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: PT02513, Steroid hormone receptor ERR1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000524 HEK293-FT Homo sapiens (Human)  1
1
IC50 = 430 nM
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