Cp-Coeleneterazine
Thuốc Gốc
Small Molecule
CTHH: C25H27N3O5
PTK: 449.499
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H27N3O5
Phân tử khối
449.499
Monoisotopic mass
449.195070989
InChI
InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25+/m0/s1
InChI Key
InChIKey=XOSFCMOTHZJUQK-SQJMNOBHSA-N
IUPAC Name
(2R,8S)-8-(cyclopentylmethyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-2H,3H,7H,8H-imidazo[1,2-a]pyrazin-3-one
Traditional IUPAC Name
cp-coeleneterazine
SMILES
OO[C@@]1(CC2=CC=C(O)C=C2)N=C2[C@H](CC3CCCC3)NC(=CN2C1=O)C1=CC=C(O)C=C1
Độ hòa tan
5.73e-02 g/l
logP
4.02
logS
-3.9
pKa (strongest acidic)
9.2
pKa (Strongest Basic)
4.3
PSA
114.62 Å2
Refractivity
122.19 m3·mol-1
Polarizability
48.54 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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