General Information of the Compound
| Compound ID |
CP0085406
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| Compound Name |
4-Oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccccc12
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| InChI |
InChI=1S/C25H32N2O2/c1-2-3-6-9-27-16-21(23(28)20-7-4-5-8-22(20)27)24(29)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,26,29)
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| InChIKey |
SFLXJKGPTRJZDT-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