Tìm theo
3-[1-(3-Aminopropyl)-1h-Indol-3-Yl]-4-(1-Methyl-1h-Indol-3-Yl)-1h-Pyrrole-2,5-Dione
Thuốc Gốc
Small Molecule
CTHH: C24H22N4O2
PTK: 398.4571
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H22N4O2
Phân tử khối
398.4571
Monoisotopic mass
398.174275968
InChI
InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)
InChI Key
InChIKey=UQHKJRCFSLMWIA-UHFFFAOYSA-N
IUPAC Name
3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
Traditional IUPAC Name
3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)-1H-pyrrole-2,5-dione
SMILES
CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2
Độ hòa tan
3.18e-02 g/l
logP
1.69
logS
-4.1
pKa (strongest acidic)
9.61
pKa (Strongest Basic)
10.41
PSA
82.05 Å2
Refractivity
117.04 m3·mol-1
Polarizability
43.94 Å3
Rotatable Bond Count
5
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
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01946
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=2403
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508045
ChemSpider
http://www.chemspider.com/Chemical-Structure.2310.html
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