General Information of the Compound
| Compound ID |
CP0524735
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| Compound Name |
(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 2,4-difluorobenzoate
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| Structure |
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| Formula |
C18H16F2O4
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| Molecular Weight |
334.318
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| Canonical SMILES |
CC1(C)Oc2cc(OC(=O)c3ccc(F)cc3F)ccc2CC1O
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| InChI |
InChI=1S/C18H16F2O4/c1-18(2)16(21)7-10-3-5-12(9-15(10)24-18)23-17(22)13-6-4-11(19)8-14(13)20/h3-6,8-9,16,21H,7H2,1-2H3
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| InChIKey |
CUZMZZWEPAJAOM-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