1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C15H12N6O3S
PTK: 356.359
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
356.359
Monoisotopic mass
356.06915897
InChI
InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24)
InChI Key
InChIKey=HGAKLLFPOGATII-UHFFFAOYSA-N
IUPAC Name
1-(4-sulfamoylphenyl)-1H,6H-pyrazolo[3,4-g]indazole-3-carboxamide
Traditional IUPAC Name
1-(4-sulfamoylphenyl)-6H-pyrazolo[3,4-g]indazole-3-carboxamide
SMILES
NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O
Độ hòa tan
2.61e-01 g/l
logP
0.24
logS
-3.1
pKa (strongest acidic)
10.67
pKa (Strongest Basic)
0.9
PSA
149.75 Å2
Refractivity
91.63 m3·mol-1
Polarizability
34.41 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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