MRGPRX4 modulator-2
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorobenzoic acid
Molecular Identity
MRGPRX4 modulator-2
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorobenzoic acid
PubChem CID: 155145968
2D Structure
Properties
C15H9ClF4O3
Molecular Formula
348.67
Molecular Weight
g/mol
348.0176
Exact Mass
Da
4.5
XLogP
Drug-like (Lipinski: < 5)
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
418
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C(=C1)C(=O)O)F)COC2=C(C=C(C=C2)C(F)(F)F)ClIsomeric SMILES
SMILES: C1=CC(=C(C(=C1)C(=O)O)F)COC2=C(C=C(C=C2)C(F)(F)F)ClSynonyms(20)
MRGPRX4 modulator-22492595-24-93-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluoro-benzoic acidNelremagpranBenzoic acid, 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluoro-3-[[2-Chloro-4-(trifluoromethyl)phenoxy]methyl]-2-fluorobenzoic acid3-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)METHYL)-2-FLUOROBENZOIC ACIDnelremagpran [INN]BL83FAK6DZC15H9ClF4O3orb1688855CHEMBL4855031SCHEMBL22469753SCHEMBL31568419GTPL14678
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to MRGPRX4 modulator-2
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