SU-14813   Click here for help

GtoPdb Ligand ID: 5712

Synonyms: SU014813 | SU14813
Compound class: Synthetic organic
Comment: SU-14813 is an oral, multitargeted receptor tyrosine kinase inhibitor targeting VEGFRs, PDGFRs, KIT, and FLT3 [2-3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 103.26
Molecular weight 442.2
XLogP -0.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)C=C1C(=O)Nc2c1cc(F)cc2)C
Isomeric SMILES O[C@H](CN1CCOCC1)CNC(=O)C1C(=NC(=C1C)/C=C/1\C(=O)Nc2c1cc(F)cc2)C
InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,21,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-,21?/m0/s1
InChI Key XWPFYHDOZULRTD-ROUJOJKSSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-2,4-dimethyl-3H-pyrrole-3-carboxamide
Synonyms Click here for help
SU014813 | SU14813
Database Links Click here for help
CAS Registry No. 627908-92-3
GtoPdb PubChem SID 178102338
PubChem CID 73755145
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