Tìm theo
1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
Thuốc Gốc
Small Molecule
CTHH: C16H13BrClNO
PTK: 350.638
1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline is a solid. This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. This medication is known to target mitogen-activated protein kinase 10.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H13BrClNO
Phân tử khối
350.638
Monoisotopic mass
348.986904397
InChI
InChI=1S/C16H13BrClNO/c1-20-15-8-10-5-6-19-16(13(10)9-14(15)18)11-3-2-4-12(17)7-11/h2-4,7-9H,5-6H2,1H3
InChI Key
InChIKey=IKGXHBGCVQTQBH-UHFFFAOYSA-N
IUPAC Name
1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
Traditional IUPAC Name
1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
SMILES
COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1
Độ hòa tan
5.39e-04 g/l
logP
4.92
logS
-5.8
pKa (Strongest Basic)
5.21
PSA
21.59 Å2
Refractivity
85.79 m3·mol-1
Polarizability
32.32 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08555
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=25203945
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99445026
ChemSpider
http://www.chemspider.com/Chemical-Structure.24662684.html
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