General Information of the Compound
| Compound ID |
CP0051827
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| Compound Name |
8-Methyl-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C26H34N2O2
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| Molecular Weight |
406.57
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cccc(C)c12
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| InChI |
InChI=1S/C26H34N2O2/c1-3-4-5-9-28-16-22(24(29)21-8-6-7-17(2)23(21)28)25(30)27-26-13-18-10-19(14-26)12-20(11-18)15-26/h6-8,16,18-20H,3-5,9-15H2,1-2H3,(H,27,30)
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| InChIKey |
BDNAVNHHUCPGAB-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