Metabolite Dasatinib M6 metabolite
- Name
- Dasatinib M6 metabolite
- Description
- Not Available
- Structure
Structure for Dasatinib M6 metabolite
- Synonyms
- Not Available
- UNII
- 83FL89EU88
- CAS number
- Not Available
- Weight
- Average: 501.99
Monoisotopic: 501.1349865 - Chemical Formula
- C22H24ClN7O3S
- InChI Key
- VMCDXJFWSYUNPO-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H24ClN7O3S/c1-13-4-3-5-15(23)20(13)28-21(33)16-11-24-22(34-16)27-17-10-18(26-14(2)25-17)30-8-6-29(7-9-30)12-19(31)32/h3-5,10-11H,6-9,12H2,1-2H3,(H,28,33)(H,31,32)(H,24,25,26,27)
- IUPAC Name
- 2-{4-[6-({5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methylpyrimidin-4-yl]piperazin-1-yl}acetic acid
- SMILES
- CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CC(O)=O)CC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 10028484
- ZINC
- ZINC000022055422
- Predicted Properties
Property Value Source Water Solubility 0.0118 mg/mL ALOGPS logP 3.02 ALOGPS logP 1.42 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 0.16 Chemaxon pKa (Strongest Basic) 6.33 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 123.58 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 132.87 m3·mol-1 Chemaxon Polarizability 50.27 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