General Information of the Compound
| Compound ID |
CP0476965
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| Compound Name |
2-(1-adamantyl)-N-[2-(4-chlorophenyl)quinolin-5-yl]acetamide
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| Structure |
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| Formula |
C27H27ClN2O
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| Molecular Weight |
430.979
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1
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| InChI |
InChI=1S/C27H27ClN2O/c28-21-6-4-20(5-7-21)23-9-8-22-24(29-23)2-1-3-25(22)30-26(31)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19H,10-16H2,(H,30,31)
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| InChIKey |
FXIPUJIHGIRLDQ-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