Bms-986278
trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
Molecular Identity
Bms-986278
trans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
PubChem CID: 132232205
2D Structure
Properties
C22H31N5O5
Molecular Formula
445.50
Molecular Weight
g/mol
445.2325
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
638
Complexity
SMILES
Canonical SMILES
SMILES: CCCN(C)C(=O)OCC1=C(N=NN1C)C2=NC(=C(C=C2)OC3CCCC(C3)C(=O)O)CIsomeric SMILES
SMILES: CCCN(C)C(=O)OCC1=C(N=NN1C)C2=NC(=C(C=C2)O[C@H]3CCC[C@@H](C3)C(=O)O)CSynonyms(20)
BMS-9862782170126-74-44UN9AOU6G8BMS986278(1S,3S)-3-((2-Methyl-6-(1-methyl-5-(((methyl(propyl)carbamoyl)oxy)methyl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)oxy)cyclohexane-1-carboxylic acidcompound 33 [PMID: 34709814](1S,3S)-3-[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]pyridin-3-yl]oxycyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 3-((2-methyl-6-(1-methyl-5-((((methylpropylamino)carbonyl)oxy)methyl)-1H-1,2,3-triazol-4-yl)-3-pyridinyl)oxy)-, (1S,3S)-compound 33 (PMID: 34709814)Cyclohexanecarboxylic acid, 3-[[2-methyl-6-[1-methyl-5-[[[(methylpropylamino)carbonyl]oxy]methyl]-1H-1,2,3-triazol-4-yl]-3-pyridinyl]oxy]-, (1S,3S)-(1S,3S)-3-({2-methyl-6-[1-methyl-5-({[methyl(propyl)carbamoyl]oxy}methyl)-1H-1,2,3-triazol-4-yl]pyridin-3-yl}oxy)cyclohexane-1-carboxylic acid(1S,3S)-3-(2-methyl-6-(1-methyl-5-((methyl(propyl)carbamoyl)oxymethyl)triazol-4-yl)pyridin-3-yl)oxycyclohexane-1-carboxylic acidRefChem:120778AdmilparantUNII-4UN9AOU6G8
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Bms-986278
Loading drug network...