Metabolite Dasatinib M5 metabolite
- Name
- Dasatinib M5 metabolite
- Description
- Not Available
- Structure
Structure for Dasatinib M5 metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 504.01
Monoisotopic: 503.1511852 - Chemical Formula
- C22H26ClN7O3S
- InChI Key
- PUSMVMGXJHIOLA-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H26ClN7O3S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(34-17)27-18-12-19(26-15(2)25-18)29-6-8-30(33,9-7-29)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/q-1
- IUPAC Name
- 4-[6-({5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl}amino)-2-methylpyrimidin-4-yl]-1-(2-hydroxyethyl)-1lambda4-piperazin-1-olate
- SMILES
- CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CC[N]([O-])(CCO)CC1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00616 mg/mL ALOGPS logP 2.14 ALOGPS logS -4.9 ALOGPS Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 126.33 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 135.12 m3·mol-1 Chemaxon Polarizability 51.2 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon