General Information of the Compound
| Compound ID |
CP0426915
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| Compound Name |
US9447114, 14
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| Structure |
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| Formula |
C18H17F3N2O4S
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| Molecular Weight |
414.405
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| Canonical SMILES |
Cc1c(sc2n(C)c(=O)n(CCCO)c(=O)c12)-c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C18H17F3N2O4S/c1-10-13-15(25)23(7-4-8-24)17(26)22(2)16(13)28-14(10)11-5-3-6-12(9-11)27-18(19,20)21/h3,5-6,9,24H,4,7-8H2,1-2H3
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| InChIKey |
SASOSPXVJJAGGQ-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