3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE
Thuốc Gốc
Small Molecule
CTHH: C26H25FN4O2
PTK: 444.5007
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
444.5007
Monoisotopic mass
444.196154269
InChI
InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32)
InChI Key
InChIKey=HIUFYIOMUILESI-UHFFFAOYSA-N
IUPAC Name
3-fluoro-5-(morpholin-4-yl)-N-{3-[2-(pyridin-4-yl)ethyl]-1H-indol-5-yl}benzamide
Traditional IUPAC Name
3-fluoro-5-(morpholin-4-yl)-N-{3-[2-(pyridin-4-yl)ethyl]-1H-indol-5-yl}benzamide
SMILES
FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1
Độ hòa tan
5.06e-03 g/l
logP
4.51
logS
-4.9
pKa (strongest acidic)
11.25
pKa (Strongest Basic)
5.67
PSA
70.25 Å2
Refractivity
128.58 m3·mol-1
Polarizability
48.15 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
5
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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