Act-774312
2-[(8S)-8-[(5-chloropyrimidin-2-yl)-methylamino]-2-fluoro-6,7,8,9-tetrahydropyrido[3,2-b]indol-5-yl]acetic acid
Molecular Identity
Act-774312
2-[(8S)-8-[(5-chloropyrimidin-2-yl)-methylamino]-2-fluoro-6,7,8,9-tetrahydropyrido[3,2-b]indol-5-yl]acetic acid
PubChem CID: 118385816
2D Structure
Properties
C18H17ClFN5O2
Molecular Formula
389.80
Molecular Weight
g/mol
389.1055
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
84.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
550
Complexity
SMILES
Canonical SMILES
SMILES: CN(C1CCC2=C(C1)C3=C(N2CC(=O)O)C=CC(=N3)F)C4=NC=C(C=N4)ClIsomeric SMILES
SMILES: CN([C@H]1CCC2=C(C1)C3=C(N2CC(=O)O)C=CC(=N3)F)C4=NC=C(C=N4)ClSynonyms(12)
ZV9R9THV2AACT-7743121809863-68-0RefChem:915077CRTH2 Antagonist ACT-774312ACT774312ACT 774312Prostaglandin D2 Receptor 2 Antagonist ACT-774312CHEMBL6068505SCHEMBL17101612(8S)-8-[(5-Chloro-2-pyrimidinyl)methylamino]-2-fluoro-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indole-5-acetic acid5H-Pyrido[3,2-b]indole-5-acetic acid, 8-[(5-chloro-2-pyrimidinyl)methylamino]-2-fluoro-6,7,8,9-tetrahydro-, (8S)-
Data from PubChem (NCBI)
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