General Information of the Compound
| Compound ID |
CP0375209
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| Compound Name |
3,6-Dichloro-2-(2-isobutoxy-4-methyl-phenyl)-chromen-4-one
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| Structure |
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| Formula |
C20H18Cl2O3
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| Molecular Weight |
377.267
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| Canonical SMILES |
CC(C)COc1cc(C)ccc1-c1oc2ccc(Cl)cc2c(=O)c1Cl
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| InChI |
InChI=1S/C20H18Cl2O3/c1-11(2)10-24-17-8-12(3)4-6-14(17)20-18(22)19(23)15-9-13(21)5-7-16(15)25-20/h4-9,11H,10H2,1-3H3
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| InChIKey |
ZGMXVFQVTMUJFQ-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