General Information of the Compound
| Compound ID |
CP0492504
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| Compound Name |
US8791272, 13.6
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| Structure |
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| Formula |
C23H23F3N2O4
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| Molecular Weight |
448.441
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| Canonical SMILES |
COc1ccc(COc2ccc(Cn3nc(C)c(CC(O)=O)c3C)cc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H23F3N2O4/c1-14-19(11-22(29)30)15(2)28(27-14)12-16-4-7-18(8-5-16)32-13-17-6-9-21(31-3)20(10-17)23(24,25)26/h4-10H,11-13H2,1-3H3,(H,29,30)
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| InChIKey |
IRHYDGSADRBKCS-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