General Information of the Compound
| Compound ID |
CP0438485
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| Compound Name |
2-[7-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
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| Structure |
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| Formula |
C22H16F6O5
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| Molecular Weight |
474.353
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| Canonical SMILES |
Cc1c(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc2c(C)c(CC(O)=O)c(=O)oc12
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| InChI |
InChI=1S/C22H16F6O5/c1-10-15-3-4-17(11(2)19(15)33-20(31)16(10)8-18(29)30)32-9-12-5-13(21(23,24)25)7-14(6-12)22(26,27)28/h3-7H,8-9H2,1-2H3,(H,29,30)
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| InChIKey |
JHJYXNVPAKOMKK-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