Tìm theo
3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide
Thuốc Gốc
Small Molecule
CTHH: C19H18FN3O2
PTK: 339.3635
3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide is a solid. This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. This drug targets mitogen-activated protein kinase 14.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H18FN3O2
Phân tử khối
339.3635
Monoisotopic mass
339.13830504
InChI
InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
InChI Key
InChIKey=VMLSXFMXUNVCSK-UHFFFAOYSA-N
IUPAC Name
3-fluoro-N-(1H-indol-5-yl)-5-(morpholin-4-yl)benzamide
Traditional IUPAC Name
3-fluoro-N-(1H-indol-5-yl)-5-(morpholin-4-yl)benzamide
SMILES
FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1
Độ hòa tan
6.48e-02 g/l
logP
3.2
logS
-3.7
pKa (strongest acidic)
11.28
pKa (Strongest Basic)
-1.7
PSA
57.36 Å2
Refractivity
96.4 m3·mol-1
Polarizability
35.82 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08092
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5326870
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99444563
ChemSpider
http://www.chemspider.com/Chemical-Structure.4484163.html
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