9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Thuốc Gốc
Small Molecule
CTHH: C24H20N2O5
PTK: 416.426
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
416.426
Monoisotopic mass
416.13722176
InChI
InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)
InChI Key
InChIKey=AOGOZJCRIFBTTN-UHFFFAOYSA-N
IUPAC Name
9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)-1H,2H,3H,6H-pyrrolo[3,4-c]carbazole-1,3-dione
Traditional IUPAC Name
9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)-2H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILES
COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O
Độ hòa tan
1.90e-02 g/l
logP
2.59
logS
-4.3
pKa (strongest acidic)
8.1
pKa (Strongest Basic)
-2.4
PSA
100.79 Å2
Refractivity
116.36 m3·mol-1
Polarizability
44.07 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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