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25183-10-2 | 4-Pyridinemethanol, 2-methyl-3-(phenylmethoxy)-5-[(phenylmethoxy)methyl]-
CAS No: 25183-10-2 Catalog No: AG002QSD MDL No:
Product Description
Catalog Number:
AG002QSD
Chemical Name:
4-Pyridinemethanol, 2-methyl-3-(phenylmethoxy)-5-[(phenylmethoxy)methyl]-
CAS Number:
25183-10-2
Molecular Formula:
C22H23NO3
Molecular Weight:
349.4229
IUPAC Name:
[2-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)pyridin-4-yl]methanol
InChI:
InChI=1S/C22H23NO3/c1-17-22(26-15-19-10-6-3-7-11-19)21(13-24)20(12-23-17)16-25-14-18-8-4-2-5-9-18/h2-12,24H,13-16H2,1H3
InChI Key:
XDAGTQTURXXFRL-UHFFFAOYSA-N
SMILES:
OCc1c(COCc2ccccc2)cnc(c1OCc1ccccc1)C
NSC Number:
107527
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.168g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.43g/mol
Monoisotopic Mass:
349.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. | Journal of medicinal chemistry 20081023 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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