[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid
Thuốc Gốc
Small Molecule
CTHH: C17H18FN4O4
PTK: 361.3476
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H18FN4O4
Phân tử khối
361.3476
Monoisotopic mass
361.131208289
IUPAC Name
2-{2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-[(4-fluoroindol-3-yl)methyl]-5-hydroxy-1H-imidazol-1-yl}acetic acid
Traditional IUPAC Name
{2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-[(4-fluoroindol-3-yl)methyl]-5-hydroxyimidazol-1-yl}acetic acid
SMILES
C[C@@H](O)[C@@H](N)C1=NC(Cc2cnc3cccc(F)c23)=C(O)N1CC(O)=O
Độ hòa tan
3.16e-01 g/l
logP
-1.9
logS
-3.1
pKa (strongest acidic)
2.98
pKa (Strongest Basic)
7.61
PSA
134.49 Å2
Refractivity
88.59 m3·mol-1
Polarizability
34.95 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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