Sofinicline
(1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
Molecular Identity
Sofinicline
(1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID: 10131048
2D Structure
Properties
C10H11Cl2N3
Molecular Formula
244.12
Molecular Weight
g/mol
243.0330
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
28.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
251
Complexity
SMILES
Canonical SMILES
SMILES: C1C2CN(CC2N1)C3=CC(=C(N=C3)Cl)ClIsomeric SMILES
SMILES: C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)ClSynonyms(20)
Sofinicline799279-80-4ABT-894sofiniclina(1s,5s)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptaneSQC232V4YYA-422894.03,6-Diazabicyclo(3.2.0)heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-sofiniclinum(1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo(3.2.0)heptaneRefChem:184170SofiniclinABT 894Sofinicline [USAN]CHEMBL238465
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sofinicline
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