General Information of the Compound
| Compound ID |
CP0512731
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| Compound Name |
US9233953, 121
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| Structure |
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| Formula |
C23H25F3N2O3S
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| Molecular Weight |
466.525
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(C(C1)c1ccccc1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C23H25F3N2O3S/c24-23(25,26)19-6-8-20(9-7-19)27-12-13-28(21(16-27)17-4-2-1-3-5-17)22(29)18-10-14-32(30,31)15-11-18/h1-9,18,21H,10-16H2
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| InChIKey |
MAHLSEWOQSXXNT-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