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125697-91-8 | Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
CAS No: 125697-91-8 Catalog No: AG000OIC MDL No:
Product Description
Catalog Number:
AG000OIC
Chemical Name:
Benzoic acid, 5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxy-
CAS Number:
125697-91-8
Molecular Formula:
C21H19NO5
Molecular Weight:
365.3793
IUPAC Name:
5-[bis[(2-hydroxyphenyl)methyl]amino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
InChI Key:
RTYOLBQXFXYMKY-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CN(c1ccc(c(c1)C(=O)O)O)Cc1ccccc1O
UNII:
7T53EGQ52Z
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
365.385g/mol
Monoisotopic Mass:
365.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| New scaffolds of natural origin as Integrase-LEDGF/p75 interaction inhibitors: virtual screening and activity assays. | European journal of medicinal chemistry 20131001 |
| Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. | Bioorganic & medicinal chemistry 20121115 |
| Trophic factor-induced excitatory synaptogenesis involves postsynaptic modulation of nicotinic acetylcholine receptors. | The Journal of neuroscience : the official journal of the Society for Neuroscience 20020115 |
| Direct inhibition of the hexose transporter GLUT1 by tyrosine kinase inhibitors. | Biochemistry 20010123 |
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