General Information of the Compound
| Compound ID |
CP0521674
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| Compound Name |
US9187424, 302
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| Structure |
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| Formula |
C25H27F3N2O5S
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| Molecular Weight |
524.561
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| Canonical SMILES |
CCCOc1ccc(cc1)C1(CC(=C(NC(=O)CS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H27F3N2O5S/c1-4-13-35-19-11-9-18(10-12-19)24(25(26,27)28)14-20(17-7-5-16(2)6-8-17)22(23(32)30-24)29-21(31)15-36(3,33)34/h5-12H,4,13-15H2,1-3H3,(H,29,31)(H,30,32)
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| InChIKey |
XBNWTYQZIFZKJL-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