Pactimibe
2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid
Molecular Identity
Pactimibe
2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acid
PubChem CID: 3081927
2D Structure
Properties
C25H40N2O3
Molecular Formula
416.60
Molecular Weight
g/mol
416.3039
Exact Mass
Da
6.3
XLogP
Above Lipinski threshold
69.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
571
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)CIsomeric SMILES
SMILES: CCCCCCCCN1CCC2=C(C(=C(C(=C21)NC(=O)C(C)(C)C)C)CC(=O)O)CSynonyms(20)
Pactimibe189198-30-9pactimibaD874R9PZ9T(7-(2,2-Dimethylpropanamido)-4,6-dimethyl-1-octylindolin-5-yl)acetic acidDTXSID80172315pactimibum[7-(2,2-Dimethylpropanamido)-4,6-dimethyl-1-octylindolin-5-yl]acetic acidRefChem:169502DTXCID10948062-(7-(2,2-dimethylpropanamido)-4,6-dimethyl-1-octyl-2,3-dihydro-1H-indol-5-yl)acetic acidUNII-D874R9PZ9TPactimibe [INN:BAN]2-[7-(2,2-dimethylpropanoylamino)-4,6-dimethyl-1-octyl-2,3-dihydroindol-5-yl]acetic acidCHEMBL478858
Data from PubChem (NCBI)
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