Dersimelagon
1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
Molecular Identity
Dersimelagon
1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
PubChem CID: 126736894
2D Structure
Properties
C36H45F4N3O5
Molecular Formula
675.80
Molecular Weight
g/mol
675.3295
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
82.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
11
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: COCC1CN(CC1C2=C(C=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)C(=O)C4(CN(CC4C5=CC=C(C=C5)OC)C6CCCC6)FIsomeric SMILES
SMILES: COC[C@H]1CN(C[C@@H]1C2=C(C=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O)C(=O)[C@@]4(CN(C[C@H]4C5=CC=C(C=C5)OC)C6CCCC6)FSynonyms(20)
Dersimelagon1835256-48-8Dersimelagon [INN]MT-7117Dersimelagon [USAN]1-(2-((3S,4R)-1-((3R,4R)-1-Cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-yl)-5-(trifluoromethyl)phenyl)piperidine-4-carboxylic acid1CWH5SV4G2DERSIMELAGON [WHO-DD]UNII-1CWH5SV4G21-[2-[(3R,4S)-1-[(3S,4S)-1-Cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic aciddersimelagonum1-(2-((3R,4S)-1-((3S,4S)-1-Cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-yl)-5-(trifluoromethyl)phenyl)piperidine-4-carboxylic AcidRefChem:132094MC1R Agonist MT-7117
Data from PubChem (NCBI)
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