Tìm theo
3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid
Thuốc Gốc
Small Molecule
CTHH: C10H8N6O2
PTK: 244.2095
3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid is a solid. This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivatives thereof) containing an amine group attached to the benzene moiety. 3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid targets the protein methionine aminopeptidase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H8N6O2
Phân tử khối
244.2095
Monoisotopic mass
244.07087353
InChI
InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11H,12H2,(H,17,18)/b11-8?,14-13+
InChI Key
InChIKey=PIUSHRUXZPMNPD-CNLUSAEGSA-N
IUPAC Name
3-[(E)-2-(5-amino-3-imino-3H-pyrazol-4-yl)diazen-1-yl]benzoic acid
Traditional IUPAC Name
3-[(E)-2-(3-amino-5-iminopyrazol-4-yl)diazen-1-yl]benzoic acid
SMILES
NC1=C(\N=N\C2=CC=CC(=C2)C(O)=O)C(=N)N=N1
Độ hòa tan
6.61e-02 g/l
logP
0.8
logS
-3.6
pKa (strongest acidic)
3.99
pKa (Strongest Basic)
4.95
PSA
136.61 Å2
Refractivity
84.78 m3·mol-1
Polarizability
22.74 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
8
H Bond Donor Count
3
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/DB08668
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