(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL
Thuốc Gốc
Small Molecule
CTHH: C19H26ClN7O
PTK: 403.909
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
403.909
Monoisotopic mass
403.188736196
InChI
InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m1/s1
InChI Key
InChIKey=RAMROQQYRRQPDL-OAHLLOKOSA-N
IUPAC Name
(2S)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
Traditional IUPAC Name
(2S)-2-({6-[(3-amino-5-chlorophenyl)amino]-9-isopropylpurin-2-yl}amino)-3-methylbutan-1-ol
SMILES
[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C
Độ hòa tan
8.22e-02 g/l
logP
3.28
logS
-3.7
pKa (strongest acidic)
13.99
pKa (Strongest Basic)
4.47
PSA
113.91 Å2
Refractivity
113.8 m3·mol-1
Polarizability
43.58 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading