General Information of the Compound
| Compound ID |
CP0512309
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| Compound Name |
US9340500, I-094
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| Structure |
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| Formula |
C20H26F3N3O3S
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| Molecular Weight |
445.507
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| Canonical SMILES |
CNS(=O)(=O)CCn1c(C)c(cc1C(C)(C)C)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H26F3N3O3S/c1-13-16(18(27)25-15-8-6-7-14(11-15)20(21,22)23)12-17(19(2,3)4)26(13)9-10-30(28,29)24-5/h6-8,11-12,24H,9-10H2,1-5H3,(H,25,27)
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| InChIKey |
HLGIDQGSTCTKJC-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