GM6001
Thuốc Gốc
Small Molecule
CTHH: C20H28N4O4
PTK: 388.4607
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
388.4607
Monoisotopic mass
388.211055404
InChI
InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
InChI Key
InChIKey=NITYDPDXAAFEIT-DYVFJYSZSA-N
IUPAC Name
(2R)-N-hydroxy-N'-[(1S)-2-(1H-indol-3-yl)-1-(methylcarbamoyl)ethyl]-2-(2-methylpropyl)butanediamide
Traditional IUPAC Name
(2R)-N-hydroxy-N'-[(1S)-2-(1H-indol-3-yl)-1-(methylcarbamoyl)ethyl]-2-(2-methylpropyl)butanediamide
SMILES
[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(=O)NC
Độ hòa tan
4.08e-02 g/l
logP
1.15
logS
-4
pKa (strongest acidic)
8.9
pKa (Strongest Basic)
-0.71
PSA
123.32 Å2
Refractivity
105.17 m3·mol-1
Polarizability
41.04 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
4
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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