General Information of the Compound
| Compound ID |
CP0430736
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| Compound Name |
4-(5,7-Dihydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(4-(trifluoromethoxy)phenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C22H20F3N3O6
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| Molecular Weight |
479.411
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| Canonical SMILES |
Cc1c(N2CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)oc2cc(O)cc(O)c12
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| InChI |
InChI=1S/C22H20F3N3O6/c1-12-18-16(30)10-14(29)11-17(18)33-20(31)19(12)27-6-8-28(9-7-27)21(32)26-13-2-4-15(5-3-13)34-22(23,24)25/h2-5,10-11,29-30H,6-9H2,1H3,(H,26,32)
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| InChIKey |
KSYPZUSWGPINBF-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