General Information of the Compound
| Compound ID |
CP0494417
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| Compound Name |
3-(4-benzoylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
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| Structure |
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| Formula |
C21H20N2O5
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| Molecular Weight |
380.4
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| Canonical SMILES |
Cc1c(N2CCN(CC2)C(=O)c2ccccc2)c(=O)oc2cc(O)cc(O)c12
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| InChI |
InChI=1S/C21H20N2O5/c1-13-18-16(25)11-15(24)12-17(18)28-21(27)19(13)22-7-9-23(10-8-22)20(26)14-5-3-2-4-6-14/h2-6,11-12,24-25H,7-10H2,1H3
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| InChIKey |
DBBHQQBNEWROEL-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