ML290   

GtoPdb Ligand ID: 8322

Synonyms: compound 8 [PMID: 23764525] | ML 290
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 109.95
Molecular weight 506.11
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C
Isomeric SMILES CC(Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F)C
InChI InChI=1S/C24H21F3N2O5S/c1-15(2)34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(14-16)35(32,33)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChI Key RSYHJSDOGMSLDH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]benzamide
Synonyms
compound 8 [PMID: 23764525] | ML 290
Database Links
CAS Registry No. 1482500-76-4 (source: Scfinder)
GtoPdb PubChem SID 252166534
PubChem CID 56593349
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