12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one
Thuốc Gốc
Small Molecule
CTHH: C27H24N2O3
PTK: 424.4911
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C27H24N2O3
Phân tử khối
424.4911
Monoisotopic mass
424.178692644
InChI
InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3
InChI Key
InChIKey=FGKKIHITEICGMN-UHFFFAOYSA-N
IUPAC Name
3-(2-hydroxyethyl)-20-(propan-2-yloxy)-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1,4,6,8,10,12,15,17(22),18,20-decaen-14-one
Traditional IUPAC Name
3-(2-hydroxyethyl)-20-isopropoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1,4,6,8,10,12,15,17(22),18,20-decaen-14-one
SMILES
CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1
Độ hòa tan
5.79e-03 g/l
logP
4.59
logS
-4.9
pKa (strongest acidic)
15.46
pKa (Strongest Basic)
0.48
PSA
63.82 Å2
Refractivity
126.33 m3·mol-1
Polarizability
48.27 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
6
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
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