JAB-3312
(5S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
Molecular Identity
JAB-3312
(5S)-1'-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID: 142434183
2D Structure
Properties
C21H22ClN7S
Molecular Formula
440.00
Molecular Weight
g/mol
439.1346
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
590
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(15)
JAB-3312CHEMBL55958382245082-05-5Sitneprotafibsitneprotafib [INN]SCHEMBL22770433SCHEMBL31096720JAB 3312 [WHO-DD]T21N67B1V3EX-A9767JAB 3312HY-161952H84687(5S)-1'-[5-[(2-Amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-5,7-dihydrospiro[6H-cyclopenta[b]pyridine-6,4'-piperidin]-5-amineSpiro[6H-cyclopenta[b]pyridine-6,4'-piperidin]-5-amine, 1'-[5-[(2-amino-3-chloro-4-pyridinyl)thio]-2-pyrazinyl]-5,7-dihydro-, (5S)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to JAB-3312
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