Tìm theo
(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
Thuốc Gốc
Small Molecule
CTHH: C12H14N2O3S
PTK: 266.316
(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is a solid. This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is known to target interleukin-2.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H14N2O3S
Phân tử khối
266.316
Monoisotopic mass
266.072513014
InChI
InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1
InChI Key
InChIKey=FJAWIBGKKKXXAL-LLVKDONJSA-N
IUPAC Name
(2R)-2-(1H-indol-3-yl)-2-[(2-sulfanylethoxy)amino]acetic acid
Traditional IUPAC Name
(R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]acetic acid
SMILES
[H][C@](NOCCS)(C(O)=O)C1=CNC2=C1C=CC=C2
Độ hòa tan
1.06e-01 g/l
logP
1.42
logS
-3.4
pKa (strongest acidic)
4.38
pKa (Strongest Basic)
2.65
PSA
74.35 Å2
Refractivity
80.66 m3·mol-1
Polarizability
27.27 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03455
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=447066
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507395
ChemSpider
http://www.chemspider.com/Chemical-Structure.394263.html
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