Tìm theo
4-[3-(Cyclopentyloxy)-4-Methoxyphenyl]-2-Pyrrolidinone
Thuốc Gốc
Small Molecule
CAS: 61413-54-5
CTHH: C16H21NO3
PTK: 275.3428
A phosphodiesterase inhibitor with antidepressant properties. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H21NO3
Phân tử khối
275.3428
Monoisotopic mass
275.152143543
InChI
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChI Key
InChIKey=HJORMJIFDVBMOB-LBPRGKRZSA-N
IUPAC Name
(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
Traditional IUPAC Name
(S)-rolipram
SMILES
[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1
Độ hòa tan
6.72e-02 g/l
logP
1.96
logS
-3.6
pKa (strongest acidic)
14.28
pKa (Strongest Basic)
-1.3
PSA
47.56 Å2
Refractivity
76.16 m3·mol-1
Polarizability
30.02 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
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/DB01954
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=448055
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508075
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D01783
ChemSpider
http://www.chemspider.com/Chemical-Structure.394978.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50042056
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