Mk-0736
3-[4-(3-ethylsulfonylpropyl)-1-bicyclo[2.2.2]octanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
Molecular Identity
Mk-0736
3-[4-(3-ethylsulfonylpropyl)-1-bicyclo[2.2.2]octanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID: 22591684
2D Structure
Properties
C23H30F3N3O2S
Molecular Formula
469.60
Molecular Weight
g/mol
469.2011
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
73.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
743
Complexity
SMILES
Canonical SMILES
SMILES: CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C(F)(F)FIsomeric SMILES
SMILES: CCS(=O)(=O)CCCC12CCC(CC1)(CC2)C3=NN=C(N3C)C4=CC=CC=C4C(F)(F)FSynonyms(20)
MK-0736719272-79-4UNII-9RT16RBU2Y9RT16RBU2YMK07364H-1,2,4-Triazole, 3-(4-(3-(ethylsulfonyl)propyl)bicyclo(2.2.2)oct-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-3-(4-(3-(Ethylsulfonyl)propyl)bicyclo(2.2.2)oct-1-yl-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole3-{4-[3-(ethanesulfonyl)propyl]bicyclo[2.2.2]octan-1-yl}-4-methyl-5-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazole3-(4-(3-(ethanesulfonyl)propyl)bicyclo(2.2.2)octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazoleRefChem:159178MK 07361304733-16-1CHEMBL17613223-(4-(3-(ethylsulfonyl)propyl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole3-[4-(3-ethylsulfonylpropyl)-1-bicyclo[2.2.2]octanyl]-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mk-0736
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