2044520-06-9
2-(1H-indol-6-yl)-3-[2-[4-(oxan-4-yloxymethyl)phenyl]ethynyl]benzoic acid
Molecular Identity
2044520-06-9
2-(1H-indol-6-yl)-3-[2-[4-(oxan-4-yloxymethyl)phenyl]ethynyl]benzoic acid
PubChem CID: 122688582
2D Structure
Properties
C29H25NO4
Molecular Formula
451.50
Molecular Weight
g/mol
451.1784
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
71.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
742
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(11)
2044520-06-9VK-2019orb2664613V6WN54K07KSCHEMBL18227637EX-A7901VK20192-(1H-indol-6-yl)-3-[2-[4-(oxan-4-yloxymethyl)phenyl]ethynyl]benzoic acid2-(1H-Indol-6-yl)-3-((4-(((tetrahydro-2H-pyran-4-yl)oxy)methyl)phenyl)ethynyl)benzoic acidH40026BENZOIC ACID, 2-(1H-INDOL-6-YL)-3-(2-(4-(((TETRAHYDRO-2H-PYRAN-4-YL)OXY)METHYL)PHENYL)ETHYNYL)-
Data from PubChem (NCBI)
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