General Information of the Compound
| Compound ID |
CP0392863
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| Compound Name |
2-(1-adamantyl)-N-(2-chloroquinolin-5-yl)acetamide
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| Structure |
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| Formula |
C21H23ClN2O
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| Molecular Weight |
354.881
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| Canonical SMILES |
Clc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
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| InChI |
InChI=1S/C21H23ClN2O/c22-19-5-4-16-17(23-19)2-1-3-18(16)24-20(25)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-5,13-15H,6-12H2,(H,24,25)
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| InChIKey |
KTWVNLHVTKIKRE-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