General Information of the Compound
| Compound ID |
CP0510485
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| Compound Name |
5,7-Dihydroxy-4-methyl-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-2H-chromen-2-one
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| Structure |
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| Formula |
C21H19F3N2O4
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| Molecular Weight |
420.387
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| Canonical SMILES |
Cc1c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)oc2cc(O)cc(O)c12
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| InChI |
InChI=1S/C21H19F3N2O4/c1-12-18-16(28)10-15(27)11-17(18)30-20(29)19(12)26-7-5-25(6-8-26)14-4-2-3-13(9-14)21(22,23)24/h2-4,9-11,27-28H,5-8H2,1H3
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| InChIKey |
UTHRZSRZUWELDB-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