General Information of the Compound
| Compound ID |
CP0529164
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| Compound Name |
1-(5-chloro-3-methylbenzo[b]thiophen-2-ylsulfonyl)-7-(4-methylpiperazin-1-yl)-2,3-dihydroquinolin-4(1H)-one
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| Structure |
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| Formula |
C23H24ClN3O3S2
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| Molecular Weight |
490.05
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2C(=O)CCN(c2c1)S(=O)(=O)c1sc2ccc(Cl)cc2c1C
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| InChI |
InChI=1S/C23H24ClN3O3S2/c1-15-19-13-16(24)3-6-22(19)31-23(15)32(29,30)27-8-7-21(28)18-5-4-17(14-20(18)27)26-11-9-25(2)10-12-26/h3-6,13-14H,7-12H2,1-2H3
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| InChIKey |
LIMSHPZPRXEEFE-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