Tìm theo
(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL
Thuốc Gốc
Small Molecule
CTHH: C24H25N7O
PTK: 427.5016
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H25N7O
Phân tử khối
427.5016
Monoisotopic mass
427.212058457
InChI
InChI=1S/C24H25N7O/c32-14-22-23(29-30-27-22)16-5-6-18-20(11-16)26-28-24(18)21-12-17-10-15(4-7-19(17)25-21)13-31-8-2-1-3-9-31/h4-7,10-12,25,32H,1-3,8-9,13-14H2,(H,26,28)(H,27,29,30)
InChI Key
InChIKey=FNWHPLLNMLOZTL-UHFFFAOYSA-N
IUPAC Name
(5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-2H-1,2,3-triazol-4-yl)methanol
Traditional IUPAC Name
(5-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-2H-1,2,3-triazol-4-yl)methanol
SMILES
OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2
Độ hòa tan
1.80e-02 g/l
logP
2.43
logS
-4.4
pKa (strongest acidic)
9.7
pKa (Strongest Basic)
9.07
PSA
109.51 Å2
Refractivity
126.16 m3·mol-1
Polarizability
48.29 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
6
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB07213
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=16058617
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99443684
ChemSpider
http://www.chemspider.com/Chemical-Structure.22376375.html
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