General Information of the Compound
| Compound ID |
CP0575293
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| Compound Name |
7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
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| Structure |
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| Formula |
C18H10ClF3O5
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| Molecular Weight |
398.72
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| Canonical SMILES |
FC(F)(F)c1cc(=O)oc2cc(OCc3cc4OCOc4cc3Cl)ccc12
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| InChI |
InChI=1S/C18H10ClF3O5/c19-13-6-16-15(25-8-26-16)3-9(13)7-24-10-1-2-11-12(18(20,21)22)5-17(23)27-14(11)4-10/h1-6H,7-8H2
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| InChIKey |
DQVMITXSLZCOEW-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