General Information of the Compound
| Compound ID |
CP0517598
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| Compound Name |
N-[4-[4-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
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| Structure |
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| Formula |
C22H23N3O7S
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| Molecular Weight |
473.507
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1c(C)c2c(O)cc(O)cc2oc1=O
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| InChI |
InChI=1S/C22H23N3O7S/c1-13-20-18(28)11-16(27)12-19(20)32-22(29)21(13)24-7-9-25(10-8-24)33(30,31)17-5-3-15(4-6-17)23-14(2)26/h3-6,11-12,27-28H,7-10H2,1-2H3,(H,23,26)
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| InChIKey |
QQSHQPIBVBEPGC-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