General Information of the Compound
| Compound ID |
CP0540531
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| Compound Name |
1-ethyl-4-hydroxy-N'-octanoyl-2-oxoquinoline-3-carbohydrazide
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| Structure |
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| Formula |
C20H27N3O4
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| Molecular Weight |
373.453
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| Canonical SMILES |
CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
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| InChI |
InChI=1S/C20H27N3O4/c1-3-5-6-7-8-13-16(24)21-22-19(26)17-18(25)14-11-9-10-12-15(14)23(4-2)20(17)27/h9-12,25H,3-8,13H2,1-2H3,(H,21,24)(H,22,26)
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| InChIKey |
AYZZPAOMIYSZOC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT00962, Glycogen synthase kinase-3 beta