General Information of the Compound
Compound ID
CP0301775
Compound Name
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl]-N-methylpyridine-2-carboxamide
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Structure
Formula
C20H20N4O2
Molecular Weight
348.406
Canonical SMILES
CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc(nc1)C(=O)NC
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InChI
InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
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InChIKey
UCYSSYGGXOFJKK-UHFFFAOYSA-N
Physicochemical Property
logP
3.0204
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
101.13
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 122531750
ChEMBL ID
CHEMBL4092976
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: PT02499, Ubiquitin carboxyl-terminal hydrolase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000410 SJSA-1 Homo sapiens (Human)  1
1
EC50 = 2580 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1300 nM
2 IC50 = 1340 nM