General Information of the Compound
| Compound ID |
CP0469578
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| Compound Name |
5-Hydroxy-4,7-dimethyl-3-(4-methylpiperazin-1-yl)-2H-chromen-2-one
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| Structure |
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| Formula |
C16H20N2O3
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| Molecular Weight |
288.347
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| Canonical SMILES |
CN1CCN(CC1)c1c(C)c2c(O)cc(C)cc2oc1=O
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| InChI |
InChI=1S/C16H20N2O3/c1-10-8-12(19)14-11(2)15(16(20)21-13(14)9-10)18-6-4-17(3)5-7-18/h8-9,19H,4-7H2,1-3H3
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| InChIKey |
YOTKRYVSTWYVEX-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