Tìm theo
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Thuốc Gốc
Small Molecule
CTHH: C18H13ClN4
PTK: 320.776
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H13ClN4
Phân tử khối
320.776
Monoisotopic mass
320.082874143
InChI
InChI=1S/C18H13ClN4/c19-14-8-4-5-9-15(14)22-18-17-10-20-12-23(17)16(11-21-18)13-6-2-1-3-7-13/h1-12H,(H,21,22)
InChI Key
InChIKey=NNBICZMPIJMWGC-UHFFFAOYSA-N
IUPAC Name
N-(2-chlorophenyl)-7-phenylimidazo[1,5-a]pyrazin-4-amine
Traditional IUPAC Name
N-(2-chlorophenyl)-7-phenylimidazo[1,5-a]pyrazin-4-amine
SMILES
ClC1=C(NC2=NC=C(N3C=NC=C23)C2=CC=CC=C2)C=CC=C1
logP
3.4
pKa (strongest acidic)
13.8
pKa (Strongest Basic)
6.74
PSA
42.22 Å2
Refractivity
92.8 m3·mol-1
Polarizability
33.52 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
1
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/DB08055
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=44563262
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444526
ChemSpider
http://www.chemspider.com/Chemical-Structure.23332732.html
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