Tìm theo
3-amino-5-phenylpentane
Thuốc Gốc
Small Molecule
CTHH: C17H21NO2S
PTK: 303.419
3-amino-5-phenylpentane is a solid. This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by a propan-1-amine. 3-amino-5-phenylpentane targets the proteins cathepsin K and cathepsin L2.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H21NO2S
Phân tử khối
303.419
Monoisotopic mass
303.129299611
InChI
InChI=1S/C17H21NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,16H,11-14,18H2/t16-/m0/s1
InChI Key
InChIKey=WQRZZKAHRWPIFX-INIZCTEOSA-N
IUPAC Name
(3S)-1-(benzenesulfonyl)-5-phenylpentan-3-amine
Traditional IUPAC Name
(3S)-1-(benzenesulfonyl)-5-phenylpentan-3-amine
SMILES
[H][C@](N)(CCC1=CC=CC=C1)CCS(=O)(=O)C1=CC=CC=C1
Độ hòa tan
3.02e-03 g/l
logP
2.75
logS
-5
pKa (strongest acidic)
19.73
pKa (Strongest Basic)
9.46
PSA
60.16 Å2
Refractivity
86.43 m3·mol-1
Polarizability
33.24 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02869
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936513
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507600
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