surufatinib   Click here for help

GtoPdb Ligand ID: 9769

Synonyms: HMPL-012 | HMPL012 | KDR-IN-1 | VEGFR2 inhibitor [WO2011060746]
Compound class: Synthetic organic
Comment: This VEGFR2 (KDR) inhibitor is claimed in patent WO2011060746 as a potential anti-angiogenic agent [1]. In this patent it is referred to as 'Compound of Formula A'.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 120.62
Molecular weight 480.19
XLogP 2.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C
Isomeric SMILES CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C
InChI InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
InChI Key TTZSNFLLYPYKIL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
International Nonproprietary Names Click here for help
INN number INN
10349 surufatinib
Synonyms Click here for help
HMPL-012 | HMPL012 | KDR-IN-1 | VEGFR2 inhibitor [WO2011060746]
Database Links Click here for help
CAS Registry No. 1308672-74-3 (source: WHO INN record)
GtoPdb PubChem SID 354702242
PubChem CID 52920501
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