General Information of the Compound
| Compound ID |
CP0482803
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| Compound Name |
US9434711, 21
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| Structure |
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| Formula |
C26H19F3N2O3S2
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| Molecular Weight |
528.577
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C26H19F3N2O3S2/c1-17-21-8-2-3-9-22(21)35-25(17)31(16-18-11-13-20(14-12-18)34-26(27,28)29)36(32,33)23-10-4-6-19-7-5-15-30-24(19)23/h2-15H,16H2,1H3
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| InChIKey |
UDOTVJNADXBIMH-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