General Information of the Compound
| Compound ID |
CP0510488
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| Compound Name |
3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
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| Structure |
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| Formula |
C22H24N2O4
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| Molecular Weight |
380.444
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| Canonical SMILES |
Cc1cccc(N2CCN(CC2)c2c(C)c3c(O)cc(O)cc3oc2=O)c1C
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| InChI |
InChI=1S/C22H24N2O4/c1-13-5-4-6-17(14(13)2)23-7-9-24(10-8-23)21-15(3)20-18(26)11-16(25)12-19(20)28-22(21)27/h4-6,11-12,25-26H,7-10H2,1-3H3
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| InChIKey |
VSBCZFRLXMMGIS-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