Simufilam
4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
Molecular Identity
Simufilam
4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID: 46195331
2D Structure
Properties
C15H21N3O
Molecular Formula
259.35
Molecular Weight
g/mol
259.1685
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
35.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
330
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3Isomeric SMILES
SMILES: CN1CCC2(CC1)NCC(=O)N2CC3=CC=CC=C3Synonyms(20)
Simufilam1224591-33-6PTI-125PTI-910c01056NV440YIO0C-0105FILORARefChem:183130simufilamum1-Benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-2-oneSimufilam [USAN]C0105MUNII-6NV440YIO04-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Simufilam
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