General Information of the Compound
| Compound ID |
CP0466805
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| Compound Name |
5-(4-methylpiperazin-1-yl)-1-tosyl-2,3-dihydroquinolin-4(1H)-one
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| Structure |
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| Formula |
C21H25N3O3S
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| Molecular Weight |
399.516
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2N(CCC(=O)c12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C21H25N3O3S/c1-16-6-8-17(9-7-16)28(26,27)24-11-10-20(25)21-18(4-3-5-19(21)24)23-14-12-22(2)13-15-23/h3-9H,10-15H2,1-2H3
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| InChIKey |
JHPXIIDMXOSCAF-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