N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide
Thuốc Gốc
Small Molecule
CTHH: C24H24N6O2
PTK: 428.4864
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H24N6O2
Phân tử khối
428.4864
Monoisotopic mass
428.196074042
InChI
InChI=1S/C24H24N6O2/c1-24(2,19-13-12-18-20(25)29-23(26)30-21(18)28-19)14-27-22(31)15-8-10-17(11-9-15)32-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,27,31)(H4,25,26,28,29,30)
InChI Key
InChIKey=FDJWFDQRPKKBFA-UHFFFAOYSA-N
IUPAC Name
N-(2-{2,4-diaminopyrido[2,3-d]pyrimidin-7-yl}-2-methylpropyl)-4-phenoxybenzamide
Traditional IUPAC Name
N-(2-{2,4-diaminopyrido[2,3-d]pyrimidin-7-yl}-2-methylpropyl)-4-phenoxybenzamide
SMILES
CC(C)(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NC2=NC(N)=NC(N)=C2C=C1
Độ hòa tan
5.79e-03 g/l
logP
3.86
logS
-4.9
pKa (strongest acidic)
14.89
pKa (Strongest Basic)
4.11
PSA
129.04 Å2
Refractivity
125.96 m3·mol-1
Polarizability
45.28 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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