Tìm theo
(S)-Rolipram
Thuốc Gốc
Small Molecule
CTHH: C16H21NO3
PTK: 275.3428
A phosphodiesterase inhibitor with antidepressant properties. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
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=C(OC)C(OC2CCCC2)=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
30.06 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
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