Cedirogant
2-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acid
Molecular Identity
Cedirogant
2-[1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)indol-1-yl]methyl]benzoyl]piperidin-4-yl]acetic acid
PubChem CID: 124123797
2D Structure
Properties
C24H20Cl3F3N2O3
Molecular Formula
547.80
Molecular Weight
g/mol
546.0492
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
62.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
781
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC1CC(=O)O)C(=O)C2=C(C(=C(C=C2)Cl)CN3C=CC4=CC(=CC(=C43)Cl)C(F)(F)F)ClIsomeric SMILES
SMILES: C1CN(CCC1CC(=O)O)C(=O)C2=C(C(=C(C=C2)Cl)CN3C=CC4=CC(=CC(=C43)Cl)C(F)(F)F)ClSynonyms(20)
Cedirogant2055496-11-0UNII-X6466M4LVPCedirogant [INN]Cedirogant [USAN]ABBV-157X6466M4LVPABV-157(1-(2,4-Dichloro-3-((7-chloro-5-(trifluoromethyl)-1hindol-1-yl)methyl)benzoyl)piperidin-4-yl)acetic acid4-Piperidineacetic acid, 1-(2,4-dichloro-3-((7-chloro-5-(trifluoromethyl)-1H-indol-1-yl)methyl)benzoyl)-[1-(2,4-dichloro-3-{[7-chloro-5-(trifluoromethyl)-1Hindol-1-yl]methyl}benzoyl)piperidin-4-yl]acetic acid4-Piperidineacetic acid, 1-[2,4-dichloro-3-[[7-chloro-5-(trifluoromethyl)-1H-indol-1-yl]methyl]benzoyl]-RefChem:1241812-(1-(2,4-dichloro-3-((7-chloro-5-(trifluoromethyl)-1H-indol-1-yl)methyl)benzoyl)piperidin-4-yl)acetic acidCedirogant [USAN:INN]
Data from PubChem (NCBI)
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