General Information of the Compound
| Compound ID |
CP0093178
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| Compound Name |
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C23H34N2O4
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| Molecular Weight |
402.535
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| Canonical SMILES |
CCCCn1c2CCCCCCc2cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O
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| InChI |
InChI=1S/C23H34N2O4/c1-2-3-15-25-19-12-8-5-4-7-11-17(19)16-18(21(25)27)20(26)24-23(22(28)29)13-9-6-10-14-23/h16H,2-15H2,1H3,(H,24,26)(H,28,29)
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| InChIKey |
JJXMAMRNQTUEMS-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