Metabolite Omidenepag
- Name
- Omidenepag
- Description
- Not Available
- Structure
Structure for Omidenepag
- Synonyms
- Not Available
- UNII
- Z95F9F9LU4
- CAS number
- Not Available
- Weight
- Average: 478.53
Monoisotopic: 478.142324386 - Chemical Formula
- C23H22N6O4S
- InChI Key
- YHGSTSNEOJUIRN-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H22N6O4S/c30-23(31)15-25-22-6-1-4-19(27-22)17-28(34(32,33)21-5-2-11-24-14-21)16-18-7-9-20(10-8-18)29-13-3-12-26-29/h1-14H,15-17H2,(H,25,27)(H,30,31)
- IUPAC Name
- 2-({6-[(N-{[4-(1H-pyrazol-1-yl)phenyl]methyl}pyridine-3-sulfonamido)methyl]pyridin-2-yl}amino)acetic acid
- SMILES
- OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 44210451
- BindingDB
- 50506546
- ChEMBL
- CHEMBL3707245
- ZINC
- ZINC000114042697
- Wikipedia
- Omidenepag
- Predicted Properties
Property Value Source Water Solubility 0.0427 mg/mL ALOGPS logP 2.22 ALOGPS logP -0.26 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 3.1 Chemaxon pKa (Strongest Basic) 5.67 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 130.31 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 127.35 m3·mol-1 Chemaxon Polarizability 47.56 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon