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Compound InformationSONAR Target prediction
Name:

LYSYL-TYROSYL-LYSINE ACETATE

Unique Identifier:SPE01502186
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H39N5O7
Molecular Weight:458.276 g/mol
X log p:5.088  (online calculus)
Lipinksi Failures2
TPSA51.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:17
Canonical Smiles:CC(O)=O.NCCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(O)=O
Reference:J Biol Chem 256: 10217 (1981)
Therapeutics:Induces nicks at apurinic and apyrimidinic sites in circular DNA

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7008±0.000707107
Normalized OD Score: sc h 1.0049±0.00423411
Z-Score: 0.2631±0.226056
p-Value: 0.79504
Z-Factor: -12.5462
Fitness Defect: 0.2294
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04227500000000001±0.00068
Plate DMSO Control (-):0.6801±0.01862
Plate Z-Factor:0.9086
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DBLink | Rows returned: 6
3990 6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
123875 (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methyl-pentanoyl]
amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
147602 (2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic
acid
448706 (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]am
ino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
4608330 6-amino-2-[[2-[2-[[2-[[2-(2-formamidohexanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]h
exanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
5702205 acetic acid; 6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

internal high similarity DBLink | Rows returned: 1
SPE01502178 0.9250

active | Cluster 12479 | Additional Members: 2 | Rows returned: 0
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