Metabolite Dasatinib M24 metabolite
- Name
- Dasatinib M24 metabolite
- Description
- Not Available
- Structure
Structure for Dasatinib M24 metabolite
- Synonyms
- Not Available
- UNII
- O4S6Z9X0XS
- CAS number
- Not Available
- Weight
- Average: 504.01
Monoisotopic: 503.1506366 - Chemical Formula
- C22H26ClN7O3S
- InChI Key
- KZNOWBHQESWSTD-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H26ClN7O3S/c1-14-25-18(11-19(26-14)30-7-5-29(6-8-30)9-10-31)27-22-24-12-17(34-22)21(33)28-20-15(13-32)3-2-4-16(20)23/h2-4,11-12,31-32H,5-10,13H2,1H3,(H,28,33)(H,24,25,26,27)
- IUPAC Name
- N-[2-chloro-6-(hydroxymethyl)phenyl]-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
- SMILES
- CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(CO)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 10029006
- ZINC
- ZINC000022060813
- Predicted Properties
Property Value Source Water Solubility 0.0191 mg/mL ALOGPS logP 2.55 ALOGPS logP 2.75 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 10.99 Chemaxon pKa (Strongest Basic) 7.19 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 126.74 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 134.85 m3·mol-1 Chemaxon Polarizability 52.4 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon