WAY-255348   Click here for help

GtoPdb Ligand ID: 8664

Synonyms: WAY 255348 | WAY255348
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 1
Rotatable bonds 1
Topological polar surface area 57.82
Molecular weight 283.11
XLogP 2.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc(n1C)c1cc(F)c2c(c1)C(C)(C)C(=O)N2
Isomeric SMILES N#Cc1ccc(n1C)c1cc(F)c2c(c1)C(C)(C)C(=O)N2
InChI InChI=1S/C16H14FN3O/c1-16(2)11-6-9(7-12(17)14(11)19-15(16)21)13-5-4-10(8-18)20(13)3/h4-7H,1-3H3,(H,19,21)
InChI Key KIOOLNRTWPFVHX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(7-fluoro-3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-methylpyrrole-2-carbonitrile
Synonyms Click here for help
WAY 255348 | WAY255348
Database Links Click here for help
CAS Registry No. 872141-23-6 (source: Scifinder)
ChEMBL Ligand CHEMBL407848
GtoPdb PubChem SID 252166864
PubChem CID 11543746
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