General Information of the Compound
| Compound ID |
CP0527935
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| Compound Name |
methyl 4-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C19H13F3O5
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| Molecular Weight |
378.302
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| Canonical SMILES |
COC(=O)c1ccc(COc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C19H13F3O5/c1-25-18(24)12-4-2-11(3-5-12)10-26-13-6-7-14-15(19(20,21)22)9-17(23)27-16(14)8-13/h2-9H,10H2,1H3
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| InChIKey |
KRTOEGPGZRRZHI-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