RY024   

GtoPdb Ligand ID: 4301

Synonyms: RY 024 | RY-024
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 63.91
Molecular weight 337.14
XLogP 4.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C
Isomeric SMILES C#Cc1ccc2c(c1)C(=O)N(C)Cc1n2cnc1C(=O)OC(C)(C)C
InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
InChI Key YTUMMZANIYQNOM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
tert-butyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
Synonyms
RY 024 | RY-024
Database Links
CAS Registry No. 173990-15-3 (source: Scifinder)
ChEMBL Ligand CHEMBL58757
GtoPdb PubChem SID 178101118
PubChem CID 9927764
Search Google for chemical match using the InChIKey YTUMMZANIYQNOM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YTUMMZANIYQNOM
Search UniChem for chemical match using the InChIKey YTUMMZANIYQNOM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YTUMMZANIYQNOM