Cathepsin Inhibitor 2
(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]heptanamide
Molecular Identity
Cathepsin Inhibitor 2
(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]heptanamide
PubChem CID: 25270086
2D Structure
Properties
C19H21F6N3O
Molecular Formula
421.40
Molecular Weight
g/mol
421.1589
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
64.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
617
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)F)C(F)(F)F)(F)FIsomeric SMILES
SMILES: CCCC(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)F)C(F)(F)F)(F)FSynonyms(14)
Cathepsin Inhibitor 21017931-53-1VBY-036orb1709483SCHEMBL1200273SPJXTKFUGDUWFY-GJZGRUSLSA-NHY-U00377AKOS040733372CS-7446DA-71960G16147T11554(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]heptanamide(S)-N-(1-Cyanocyclopropyl)-4,4-difluoro-2-(((S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl)amino)heptanamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cathepsin Inhibitor 2
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