Flt-3 inhibitor   Click here for help

GtoPdb Ligand ID: 5970

Synonyms: TCS 359 | TCS-359
Compound class: Synthetic organic
Comment: This is compound 25 in [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.89
Molecular weight 360.11
XLogP 1.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
Isomeric SMILES COc1cc(ccc1OC)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
InChI InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)
InChI Key FSPQCTGGIANIJZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(3,4-dimethoxybenzene)amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Synonyms Click here for help
TCS 359 | TCS-359
Database Links Click here for help
CAS Registry No. 301305-73-7
ChEMBL Ligand CHEMBL210833
GtoPdb PubChem SID 178102593
PubChem CID 1048845
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Tocris
TCS 359
Cat. No. 2591