1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Thuốc Gốc
Small Molecule
CTHH: C17H24N4O2
PTK: 316.3981
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H24N4O2
Phân tử khối
316.3981
Monoisotopic mass
316.189926032
InChI
InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1
InChI Key
InChIKey=RYAZZWWVNUWKNB-AWEZNQCLSA-N
IUPAC Name
(2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
SMILES
[H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)C(N)=N
Độ hòa tan
1.91e-01 g/l
logP
0.72
logS
-3.2
pKa (strongest acidic)
15.27
pKa (Strongest Basic)
11.48
PSA
99.28 Å2
Refractivity
99.86 m3·mol-1
Polarizability
35.14 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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