General Information of the Compound
Compound ID
CP0180925
Compound Name
N-[3-[(2,3-dihydroxybenzoyl)amino]phenyl]-2,3-dihydroxybenzamide
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Structure
Formula
C20H16N2O6
Molecular Weight
380.356
Canonical SMILES
Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O
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InChI
InChI=1S/C20H16N2O6/c23-15-8-2-6-13(17(15)25)19(27)21-11-4-1-5-12(10-11)22-20(28)14-7-3-9-16(24)18(14)26/h1-10,23-26H,(H,21,27)(H,22,28)
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InChIKey
MIQUEZGHEJGPJB-UHFFFAOYSA-N
Physicochemical Property
logP
3.0136
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
139.12
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 10385095
SID: 15400489
ChEMBL ID
CHEMBL2170856
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: PT01466, Telomerase reverse transcriptase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 = 670 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  2
1
IC50 = 12100 nM
   TI
   LI
   LO
   TS
2
IC50 = 12800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 670 nM