N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
Thuốc Gốc
Small Molecule
CTHH: C22H23ClN6
PTK: 406.911
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H23ClN6
Phân tử khối
406.911
Monoisotopic mass
406.167272473
InChI
InChI=1S/C22H23ClN6/c1-14-4-3-5-17(23)21(14)27-22-20-11-24-13-29(20)19-10-16(6-7-18(19)26-22)28-9-8-25-15(2)12-28/h3-7,10-11,13,15,25H,8-9,12H2,1-2H3,(H,26,27)/t15-/m0/s1
InChI Key
InChIKey=VWJPPYCULHDHBB-HNNXBMFYSA-N
IUPAC Name
N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
Traditional IUPAC Name
N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
SMILES
[H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1
Độ hòa tan
6.57e-03 g/l
logP
3.74
logS
-4.8
pKa (strongest acidic)
14.82
pKa (Strongest Basic)
8.96
PSA
57.49 Å2
Refractivity
118.38 m3·mol-1
Polarizability
44.48 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
2
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading