General Information of the Compound
| Compound ID |
CP0454013
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| Compound Name |
US8653100, 106
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| Structure |
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| Formula |
C25H27FN2O3S2
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| Molecular Weight |
486.634
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| Canonical SMILES |
Fc1cccc(c1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)c3cccs3)cc12
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| InChI |
InChI=1S/C25H27FN2O3S2/c26-20-5-1-4-19(16-20)25(10-3-11-25)24-22-17-21(8-7-18(22)9-12-27-24)31-14-13-28-33(29,30)23-6-2-15-32-23/h1-2,4-8,15-17,24,27-28H,3,9-14H2
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| InChIKey |
ZIHDYYYLJHPRKH-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