Verdinexor HydrochlorideProduct ingredient for Verdinexor
- Name
- Verdinexor Hydrochloride
- Drug Entry
- Verdinexor
Kpt 335 is under investigation in clinical trial NCT02431364 (Trial of Safety and Tolerability of Oral Verdinexor (Verdinexor) in Healthy Adults).
- Accession Number
- DBSALT002155
- Structure
Structure for Verdinexor Hydrochloride (DBSALT002155)
- Synonyms
- Not Available
- UNII
- 3R2O141875
- CAS Number
- 1421923-73-0
- Weight
- Average: 478.78
Monoisotopic: 478.0743557 - Chemical Formula
- C18H13ClF6N6O
- InChI Key
- NPOWEDMICNPYHB-YHSAGPEESA-N
- InChI
- InChI=1S/C18H12F6N6O.ClH/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)16-26-10-30(29-16)6-4-15(31)28-27-14-3-1-2-5-25-14;/h1-10H,(H,25,27)(H,28,31);1H/b6-4-;
- IUPAC Name
- (2Z)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyridin-2-yl)prop-2-enehydrazide hydrochloride
- SMILES
- Cl.FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=CC=CC=N2)C=N1)C(F)(F)F
- External Links
- ChemSpider
- 32702180
- Predicted Properties
Property Value Source Water Solubility 0.0044 mg/mL ALOGPS logP 3.7 ALOGPS logP 4.31 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 11.44 Chemaxon pKa (Strongest Basic) 5.59 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.73 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 122.16 m3·mol-1 Chemaxon Polarizability 36.33 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon