Afuresertib HydrochlorideProduct ingredient for Afuresertib
- Name
- Afuresertib Hydrochloride
- Drug Entry
- Afuresertib
Afuresertib has been used in trials studying the treatment of Cancer and Neoplasms, Haematologic.
- Accession Number
- DBSALT002037
- Structure
- Synonyms
- Not Available
- UNII
- 0FC27E442O
- CAS Number
- 1047645-82-8
- Weight
- Average: 463.78
Monoisotopic: 462.0250937 - Chemical Formula
- C18H18Cl3FN4OS
- InChI Key
- YFQJOPFTGMHYNV-YDALLXLXSA-N
- InChI
- InChI=1S/C18H17Cl2FN4OS.ClH/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10;/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26);1H/t12-;/m0./s1
- IUPAC Name
- N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)thiophene-2-carboxamide hydrochloride
- SMILES
- Cl.CN1N=CC(Cl)=C1C1=C(Cl)SC(=C1)C(=O)N[C@H](CN)CC1=CC=CC(F)=C1
- External Links
- ChemSpider
- 28651810
- ChEMBL
- CHEMBL2219423
- Predicted Properties
Property Value Source Water Solubility 0.00781 mg/mL ALOGPS logP 3.45 ALOGPS logP 3.75 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 13.79 Chemaxon pKa (Strongest Basic) 9.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.94 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 116.81 m3·mol-1 Chemaxon Polarizability 40.89 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 No Chemaxon