[2-(1-Amino-2-Hydroxy-Propyl)-4-(1h-Indol-3-Ylmethylene)-5-Oxo-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehy
Thuốc Gốc
Small Molecule
CTHH: C17H17N4O3
PTK: 325.3419
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H17N4O3
Phân tử khối
325.3419
Monoisotopic mass
325.13006543
InChI
InChI=1S/C17H17N4O3/c1-10(23)15(18)16-20-14(17(24)21(16)6-7-22)8-11-9-19-13-5-3-2-4-12(11)13/h2-5,7-10,15,23H,6,18H2,1H3/b14-8-/t10-,15+/m0/s1
InChI Key
InChIKey=LSZBNIBVISMGSN-ZWUDRCEUSA-N
IUPAC Name
2-[(4Z)-2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-(indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetaldehyde
Traditional IUPAC Name
2-[(4Z)-2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-(indol-3-ylmethylidene)-5-oxoimidazol-1-yl]acetaldehyde
SMILES
C[C@H](O)[C@@H](N)C1=N\C(=C/c2cnc3ccccc23)C(=O)N1CC=O
Độ hòa tan
1.21e-01 g/l
logP
-0.59
logS
-3.4
pKa (strongest acidic)
13.52
pKa (Strongest Basic)
7.36
PSA
108.88 Å2
Refractivity
88.56 m3·mol-1
Polarizability
34.11 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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