BMS-863233 hydrochlorideProduct ingredient for BMS-863233
- Name
- BMS-863233 hydrochloride
- Drug Entry
- BMS-863233
BMS-863233 has been investigated for the treatment of Refractory Hematologic Cancer.
- Accession Number
- DBSALT002181
- Structure
Structure for BMS-863233 hydrochloride (DBSALT002181)
- Synonyms
- Not Available
- UNII
- JG305JRH1Z
- CAS Number
- 1169562-71-3
- Weight
- Average: 326.18
Monoisotopic: 325.0384821 - Chemical Formula
- C14H13Cl2N3O2
- InChI Key
- UNDKJUKLBNARIZ-FVGYRXGTSA-N
- InChI
- InChI=1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1
- IUPAC Name
- 12-chloro-4-[(2S)-pyrrolidin-2-yl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one hydrochloride
- SMILES
- Cl.[H][C@]1(CCCN1)C1=NC2=C(OC3=C2C=C(Cl)C=C3)C(=O)N1
- External Links
- ChemSpider
- 30689922
- Predicted Properties
Property Value Source Water Solubility 0.168 mg/mL ALOGPS logP 1.82 ALOGPS logP 0.63 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 7.49 Chemaxon pKa (Strongest Basic) 9.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.63 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 76.33 m3·mol-1 Chemaxon Polarizability 29.21 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 No Chemaxon