Motesanib diphosphateProduct ingredient for Motesanib
- Name
- Motesanib diphosphate
- Drug Entry
- Motesanib
- Accession Number
- DBSALT001987
- Structure
Structure for Motesanib diphosphate (DBSALT001987)
- Synonyms
- Motesanib diphosphate
- UNII
- T6Q3060U91
- CAS Number
- 857876-30-3
- Weight
- Average: 569.448
Monoisotopic: 569.14405153 - Chemical Formula
- C22H29N5O9P2
- InChI Key
- ONDPWWDPQDCQNJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H23N5O.2H3O4P/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15;2*1-5(2,3)4/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28);2*(H3,1,2,3,4)
- IUPAC Name
- N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-{[(pyridin-4-yl)methyl]amino}pyridine-3-carboxamide; bis(phosphoric acid)
- SMILES
- OP(O)(O)=O.OP(O)(O)=O.CC1(C)CNC2=CC(NC(=O)C3=C(NCC4=CC=NC=C4)N=CC=C3)=CC=C12
- External Links
- ChemSpider
- 17255682
- ChEMBL
- CHEMBL2107357
- Wikipedia
- Motesanib
- Predicted Properties
Property Value Source Water Solubility 0.0112 mg/mL ALOGPS logP 3.59 ALOGPS logP 3.33 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 15.56 Chemaxon pKa (Strongest Basic) 5.43 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 78.94 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 114.77 m3·mol-1 Chemaxon Polarizability 40.66 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 No Chemaxon