General Information of the Compound
Compound ID
CP0338032
Compound Name
5-hydroxy-6-oxo-3,7,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10,12-pentaene-4-carboxylic acid
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Structure
Formula
C11H7N3O4
Molecular Weight
245.194
Canonical SMILES
OC(=O)c1nc2-c3ncccc3Cn2c(=O)c1O
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InChI
InChI=1S/C11H7N3O4/c15-8-7(11(17)18)13-9-6-5(2-1-3-12-6)4-14(9)10(8)16/h1-3,15H,4H2,(H,17,18)
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InChIKey
AQNHQZINJQKYMR-UHFFFAOYSA-N
Physicochemical Property
logP
0.0708
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
105.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 136254253
ChEMBL ID
CHEMBL2040561
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: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 67400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 21600 nM