General Information of the Compound
| Compound ID |
CP0195802
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| Compound Name |
N-(1-adamantyl)-6-ethyl-4-oxo-1-pentylquinoline-3-carboxamide
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| Structure |
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| Formula |
C27H36N2O2
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| Molecular Weight |
420.597
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CC)ccc12
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| InChI |
InChI=1S/C27H36N2O2/c1-3-5-6-9-29-17-23(25(30)22-13-18(4-2)7-8-24(22)29)26(31)28-27-14-19-10-20(15-27)12-21(11-19)16-27/h7-8,13,17,19-21H,3-6,9-12,14-16H2,1-2H3,(H,28,31)
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| InChIKey |
GGQDDJOKTVQNBO-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