General Information of the Compound
| Compound ID |
CP0565682
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| Compound Name |
US8791272, 16.1
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| Structure |
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| Formula |
C22H21F3N2O2S
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| Molecular Weight |
434.483
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| Canonical SMILES |
Cc1nn(Cc2ccc(CSc3ccc(cc3)C(F)(F)F)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C22H21F3N2O2S/c1-14-20(11-21(28)29)15(2)27(26-14)12-16-3-5-17(6-4-16)13-30-19-9-7-18(8-10-19)22(23,24)25/h3-10H,11-13H2,1-2H3,(H,28,29)
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| InChIKey |
MJAGWNCYNLSUSX-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