General Information of the Compound
| Compound ID |
CP0523366
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| Compound Name |
US9365558, 12
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| Structure |
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| Formula |
C23H25F5N2O5S
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| Molecular Weight |
536.519
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| Canonical SMILES |
CCCCCCC#C[C@@]1(CC(=C(C(=O)NS(C)(=O)=O)C(=O)N1)c1ccc(OC(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F5N2O5S/c1-3-4-5-6-7-8-13-22(23(26,27)28)14-17(15-9-11-16(12-10-15)35-21(24)25)18(19(31)29-22)20(32)30-36(2,33)34/h9-12,21H,3-7,14H2,1-2H3,(H,29,31)(H,30,32)/t22-/m1/s1
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| InChIKey |
LCFGCPIAFIFTDS-JOCHJYFZSA-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