General Information of the Compound
| Compound ID |
CP0491867
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| Compound Name |
US9394273, 23
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| Structure |
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| Formula |
C24H24F2O4
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| Molecular Weight |
414.448
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| Canonical SMILES |
OC(Cc1ccc(F)c(F)c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H24F2O4/c25-21-11-4-16(14-22(21)26)13-19(27)9-7-17-8-12-23(28)20(17)10-3-15-1-5-18(6-2-15)24(29)30/h1-2,4-7,9,11,14,17,19-20,27H,3,8,10,12-13H2,(H,29,30)/b9-7+/t17-,19?,20+/m0/s1
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| InChIKey |
PGDLVWMBYBRVFO-QVVBJLIYSA-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