SGR-1505
(3R)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
Molecular Identity
SGR-1505
(3R)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
PubChem CID: 156539584
2D Structure
Properties
C18H12ClF4N9O
Molecular Formula
481.80
Molecular Weight
g/mol
481.0789
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
759
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(19)
SGR-15052661481-41-8SGR1505(3R)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-11-fluoro-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide9A59ESA73Norb2565298CHEMBL6068524SCHEMBL23580358GTPL13295BDBM645837EX-A8785NSC857440NSC-857440US20240018157, Example 39example 39 [WO2021134004A1]
Data from PubChem (NCBI)
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