General Information of the Compound
| Compound ID |
CP0565726
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| Compound Name |
US9340500, I-117
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| Structure |
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| Formula |
C20H28F3N3O2S
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| Molecular Weight |
431.524
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| Canonical SMILES |
CNCCCn1c(C)c(cc1C(C)(C)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H28F3N3O2S/c1-14-17(13-18(19(2,3)4)26(14)11-7-10-24-5)29(27,28)25-16-9-6-8-15(12-16)20(21,22)23/h6,8-9,12-13,24-25H,7,10-11H2,1-5H3
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| InChIKey |
CRVULPKLJRCXRJ-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