Bcx-1812
Thuốc Gốc
Small Molecule
CAS: 330600-85-6
CTHH: C15H28N4O4
PTK: 328.4072
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H28N4O4
Phân tử khối
328.4072
Monoisotopic mass
328.211055404
InChI
InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10-,11-,12-,13+/m1/s1
InChI Key
InChIKey=XRQDFNLINLXZLB-VEGXAWMVSA-N
IUPAC Name
(1R,2R,3R,4R)-4-carbamimidamido-3-[(1R)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid
Traditional IUPAC Name
(1R,2R,3R,4R)-4-carbamimidamido-3-[(1R)-1-acetamido-2-ethylbutyl]-2-hydroxycyclopentane-1-carboxylic acid
SMILES
CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@@H](O)[C@@H](C[C@H]1NC(N)=N)C(O)=O
Độ hòa tan
3.80e-01 g/l
logP
-2.1
logS
-2.9
pKa (strongest acidic)
4.18
pKa (Strongest Basic)
12.46
PSA
148.53 Å2
Refractivity
94.46 m3·mol-1
Polarizability
34.95 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
7
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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