General Information of the Compound
| Compound ID |
CP0402751
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| Compound Name |
US9447114, 3
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| Structure |
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| Formula |
C22H25F3N2O4S
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| Molecular Weight |
470.513
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| Canonical SMILES |
CC(C)CCc1c(sc2n(C)c(=O)n(CCCO)c(=O)c12)-c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C22H25F3N2O4S/c1-13(2)8-9-16-17-19(29)27(10-5-11-28)21(30)26(3)20(17)32-18(16)14-6-4-7-15(12-14)31-22(23,24)25/h4,6-7,12-13,28H,5,8-11H2,1-3H3
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| InChIKey |
KTRHDQVQXWDJKU-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