General Information of the Compound
| Compound ID |
CP0471806
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| Compound Name |
3,6-Dichloro-2-(2,4,6-trimethyl-phenyl)-chromen-4-one
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| Structure |
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| Formula |
C18H14Cl2O2
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| Molecular Weight |
333.214
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| Canonical SMILES |
Cc1cc(C)c(c(C)c1)-c1oc2ccc(Cl)cc2c(=O)c1Cl
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| InChI |
InChI=1S/C18H14Cl2O2/c1-9-6-10(2)15(11(3)7-9)18-16(20)17(21)13-8-12(19)4-5-14(13)22-18/h4-8H,1-3H3
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| InChIKey |
MFVRBRLUUQLTAK-UHFFFAOYSA-N
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| CAS |
13179-05-0
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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