Basic information
- CAS
1001341-27-0- Standard SMILES
O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1- InChIKey
FKDXTKROKGYHBQ-UHFFFAOYSA-N- Molecular formula
- C31H28ClF3N6O3
- Average molar mass
- 625 g/mol
- Monoisotopic mass
- 624.186351
Names & identifiers
- Preferred name
- 2-Chloro-N-(2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)benzamido)benzamide
- IUPAC
- 2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
- English name
- TG-100948
- Molecular formula
- C31H28ClF3N6O3
- Molecular weight
- 625.04
Names & synonyms
TG1009481001341-27-02-Chloro-N-(2-((4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-5-yl)-5-(3-(trifluoromethyl)benzamido)benzamide2-Chloro-N-[2-[[4-[2-(pyrrolidin-1-yl)ethoxy]phenyl]amino]pyrimidin-5-yl]-5-(3-trifluoromethylbenzoylamino)benzamide2-chloro-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamideCID 11635875AGN-PC-00D4IHSCHEMBL265393orb1737809DTXSID80469777FKDXTKROKGYHBQ-UHFFFAOYSA-NGLXC-21892
Show more names
TG-100948Benzamide, 2-chloro-N-[2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-5-pyrimidinyl]-5-[[3-(trifluoromethyl)benzoyl]amino]-
AKOS0329602892-Chloro-N-(2-{4-[2-(pyrrolidin-1-yl)ethoxy]anilino}pyrimidin-5-yl)-5-[3-(trifluoromethyl)benzamido]benzamide
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 926
Physicochemical properties
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- pka
- 10.27 · 10.27±0.70(Predicted)
Chemistry & industry
Applications
DescriptionTG100948 is a novel dual VEGFR/Src kinase inhibitor.
Suppliers3 total
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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