(5z)-2-[(1s,2r)-1-Amino-2-Hydroxypropyl]-5-[(4-Amino-1h-Indol-3-Yl)Methylene]-3-(2-Hydroxyethyl)-3,5
Thuốc Gốc
Small Molecule
CTHH: C17H19N5O4
PTK: 357.3639
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H19N5O4
Phân tử khối
357.3639
Monoisotopic mass
357.143704121
InChI
InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1
InChI Key
InChIKey=JUWJATLABHTRDF-JURWUIOISA-N
IUPAC Name
2-[(4Z)-4-[(4-amino-1H-indol-3-yl)methylidene]-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Traditional IUPAC Name
[(4Z)-4-[(4-amino-1H-indol-3-yl)methylidene]-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxoimidazol-1-yl]acetic acid
SMILES
C[C@@H](O)[C@H](N)C1=N\C(=C/C2=CNC3=C2C(N)=CC=C3)C(=O)N1CC(O)=O
Độ hòa tan
2.11e-01 g/l
logP
-3.3
logS
-3.2
pKa (strongest acidic)
3.76
pKa (Strongest Basic)
7.56
PSA
158.03 Å2
Refractivity
95.69 m3·mol-1
Polarizability
36.62 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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