Cysteine-Methylene-Carbamoyl-1,10-Phenanthroline
Thuốc Gốc
Small Molecule
CTHH: C17H16N4O3S
PTK: 356.399
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H16N4O3S
Phân tử khối
356.399
Monoisotopic mass
356.094311088
InChI
InChI=1S/C17H16N4O3S/c18-12(17(23)24)8-25-9-14(22)21-13-7-10-3-1-5-19-15(10)16-11(13)4-2-6-20-16/h1-7,12H,8-9,18H2,(H,21,22)(H,23,24)/t12-/m0/s1
InChI Key
InChIKey=ZFGIPRHDRFOMFO-LBPRGKRZSA-N
IUPAC Name
(2R)-2-amino-3-({[(1,10-phenanthrolin-5-yl)carbamoyl]methyl}sulfanyl)propanoic acid
Traditional IUPAC Name
(2R)-2-amino-3-({[(1,10-phenanthrolin-5-yl)carbamoyl]methyl}sulfanyl)propanoic acid
SMILES
N[C@@H](CSCC(=O)NC1=CC2=C(N=CC=C2)C2=C1C=CC=N2)C(O)=O
Độ hòa tan
3.43e-02 g/l
logP
-1.5
logS
-4
pKa (strongest acidic)
2.12
pKa (Strongest Basic)
8.83
PSA
118.2 Å2
Refractivity
95.23 m3·mol-1
Polarizability
37.19 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
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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