Tìm theo
Rbt205 Inhibitor
Thuốc Gốc
Small Molecule
CTHH: C25H24N4O2
PTK: 412.4837
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C25H24N4O2
Phân tử khối
412.4837
Monoisotopic mass
412.189926032
InChI
InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
InChI Key
InChIKey=QMGUOJYZJKLOLH-UHFFFAOYSA-N
IUPAC Name
3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
Traditional IUPAC Name
3-{1-[3-(dimethylamino)propyl]indol-3-yl}-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
SMILES
CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2
Độ hòa tan
8.24e-03 g/l
logP
2.58
logS
-4.7
pKa (strongest acidic)
9.99
pKa (Strongest Basic)
9.39
PSA
70.13 Å2
Refractivity
122.21 m3·mol-1
Polarizability
45.57 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03777
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2396
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507495
ChemSpider
http://www.chemspider.com/Chemical-Structure.2303.html
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