General Information of the Compound
Compound ID |
CP0377712
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Compound Name |
2-(3,4-Dihydroxy-phenyl)-5,7-dimethoxy-6-pentyloxy-chromen-4-one
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Structure |
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Formula |
C22H24O7
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Molecular Weight |
400.427
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Canonical SMILES |
CCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(O)c(O)c1
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InChI |
InChI=1S/C22H24O7/c1-4-5-6-9-28-21-19(26-2)12-18-20(22(21)27-3)16(25)11-17(29-18)13-7-8-14(23)15(24)10-13/h7-8,10-12,23-24H,4-6,9H2,1-3H3
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InChIKey |
LPJVXLFNOCNRJZ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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