General Information of the Compound
| Compound ID |
CP0579463
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| Compound Name |
[2-oxo-4-(trifluoromethyl)chromen-7-yl] cyclohexanecarboxylate
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| Structure |
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| Formula |
C17H15F3O4
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| Molecular Weight |
340.297
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| Canonical SMILES |
FC(F)(F)c1cc(=O)oc2cc(OC(=O)C3CCCCC3)ccc12
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| InChI |
InChI=1S/C17H15F3O4/c18-17(19,20)13-9-15(21)24-14-8-11(6-7-12(13)14)23-16(22)10-4-2-1-3-5-10/h6-10H,1-5H2
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| InChIKey |
OBMXZFXPUWSWCZ-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