General Information of the Compound
Compound ID
CP0381275
Compound Name
3-[4-(2-aminobenzoyl)triazol-1-yl]benzenesulfonamide
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Structure
Formula
C15H13N5O3S
Molecular Weight
343.368
Canonical SMILES
Nc1ccccc1C(=O)c1cn(nn1)-c1cccc(c1)S(N)(=O)=O
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InChI
InChI=1S/C15H13N5O3S/c16-13-7-2-1-6-12(13)15(21)14-9-20(19-18-14)10-4-3-5-11(8-10)24(17,22)23/h1-9H,16H2,(H2,17,22,23)
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InChIKey
BTRLYGRHABVYGM-UHFFFAOYSA-N
Physicochemical Property
logP
0.7279
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
133.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 71682015
ChEMBL ID
CHEMBL2381366
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 > 50000 nM
   TI
   LI
   LO
   TS