Tìm theo
6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Thuốc Gốc
Small Molecule
CTHH: C17H15N5O
PTK: 305.3339
6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. It is known to target queuine tRNA-ribosyltransferase.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H15N5O
Phân tử khối
305.3339
Monoisotopic mass
305.127660127
InChI
InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChI Key
InChIKey=PBZAIUVFRISTSZ-UHFFFAOYSA-N
IUPAC Name
6-amino-4-(2-phenylethyl)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Traditional IUPAC Name
6-amino-4-(2-phenylethyl)-1H,7H-imidazo[4,5-g]quinazolin-8-one
SMILES
NC1=NC2=C(C=C3NC=NC3=C2CCC2=CC=CC=C2)C(=O)N1
Độ hòa tan
3.25e-02 g/l
logP
2.32
logS
-4
pKa (strongest acidic)
11.09
pKa (Strongest Basic)
4.19
PSA
96.16 Å2
Refractivity
89.44 m3·mol-1
Polarizability
32.31 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
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
http://www.drugbank.ca/drugs/DB08267
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5326928
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444738
ChemSpider
http://www.chemspider.com/Chemical-Structure.4484211.html
... loading
... loading