General Information of the Compound
| Compound ID |
CP0562195
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| Compound Name |
2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-5,8-dione
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| Structure |
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| Formula |
C21H28O3
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| Molecular Weight |
328.452
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| Canonical SMILES |
CCCCCC1=CC(=O)C2=C(OC(C)(CCC=C(C)C)C=C2)C1=O
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| InChI |
InChI=1S/C21H28O3/c1-5-6-7-10-16-14-18(22)17-11-13-21(4,12-8-9-15(2)3)24-20(17)19(16)23/h9,11,13-14H,5-8,10,12H2,1-4H3
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| InChIKey |
HEBMMRMWLSDVHO-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