SU11274   Click here for help

GtoPdb Ligand ID: 5057

Synonyms: Met kinase Inhibitor | SU-11274
PDB Ligand
Compound class: Synthetic organic
Comment: SU11274 is a selective Met inhibitor [6].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 114.2
Molecular weight 567.17
XLogP 3.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(cc2)S(=O)(=O)N(c1cccc(c1)Cl)C
Isomeric SMILES CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(cc2)S(=O)(=O)N(c1cccc(c1)Cl)C
InChI InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
InChI Key FPYJSJDOHRDAMT-KQWNVCNZSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
(3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
Synonyms Click here for help
Met kinase Inhibitor | SU-11274
Database Links Click here for help
CAS Registry No. 658084-23-2
ChEMBL Ligand CHEMBL261641
GtoPdb PubChem SID 178101751
PubChem CID 9549297
RCSB PDB Ligand 274
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