VU0238429   Click here for help

GtoPdb Ligand ID: 3257

Synonyms: VU 0238429 | VU-0238429
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 55.84
Molecular weight 351.07
XLogP 3.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
Isomeric SMILES COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
InChI Key CKLGZXFOLMHCMC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
Synonyms Click here for help
VU 0238429 | VU-0238429
Database Links Click here for help
CAS Registry No. 1160247-92-6 (source: Scifinder)
ChEMBL Ligand CHEMBL466253
GtoPdb PubChem SID 178100300
PubChem CID 42633508
Search Google for chemical match using the InChIKey CKLGZXFOLMHCMC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey CKLGZXFOLMHCMC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CKLGZXFOLMHCMC
Wikipedia VU-0238429

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Tocris
VU 0238429
Cat. No. 3634