Avian myoblastosis virus polyprotein II 68 Activities
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Spodoptera litura 1708 Activities
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HT-22 3261 Activities
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Molecule Features
Natural Product: Yes
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 298.29
Molecular Weight (Monoisotopic): 298.0841
AlogP: 3.18
#Rotatable Bonds: 3
Polar Surface Area: 68.90
Molecular Species: NEUTRAL
HBA: 5
HBD: 1
#RO5 Violations: 0
HBA (Lipinski): 5
HBD (Lipinski): 1
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 7.88
CX Basic pKa:
CX LogP: 3.00
CX LogD: 2.88
Aromatic Rings: 3
Heavy Atoms: 22
QED Weighted: 0.80
Np Likeness Score: 1.16
References
1.Phosrithong N, Samee W, Ungwitayatorn J. (2012) 3D-QSAR studies of natural flavonoid compounds as reverse transcriptase inhibitors, 21 (5):[10.1007/s00044-011-9570-z]
2.Morimoto M, Tanimoto K, Nakano S, Ozaki T, Nakano A, Komai K.. (2003) Insect antifeedant activity of flavones and chromones against Spodoptera litura., 51 (2):[PMID:12517100][10.1021/jf025627a]
3.Wang S, Chen C, Lo C, Feng J, Lin H, Chang P, Yang L, Chen L, Liu Y, Kuo C, Wu J. (2015) Synthesis and biological evaluation of novel 7-O-lipophilic substituted baicalein derivatives as potential anticancer agents, 6 (10):[10.1039/C5MD00163C]
4.Seo YH,Trinh TA,Ryu SM,Kim HS,Choi G,Moon BC,Shim SH,Jang DS,Lee D,Kang KS,Lee J. (2020) Chemical Constituents from the Aerial Parts of Elsholtzia ciliata and Their Protective Activities on Glutamate-Induced HT22 Cell Death., 83 (10):[PMID:32991171][10.1021/acs.jnatprod.0c00756]
5.Zhang J, Zhang L, Wang J, Ouyang L, Wang Y.. (2022) Polo-like Kinase 1 Inhibitors in Human Cancer Therapy: Development and Therapeutic Potential., 65 (15.0):[PMID:35878418][10.1021/acs.jmedchem.2c00614]
6.Ferreira JPS, Albuquerque HMT, Cardoso SM, Silva AMS, Silva VLM.. (2021) Dual-target compounds for Alzheimer's disease: Natural and synthetic AChE and BACE-1 dual-inhibitors and their structure-activity relationship (SAR)., 221 [PMID:33984802][10.1016/j.ejmech.2021.113492]
