General Information of the Compound
| Compound ID |
CP0494872
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| Compound Name |
US9422235, 110
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| Structure |
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| Formula |
C21H29F3N2O2S
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| Molecular Weight |
430.536
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| Canonical SMILES |
CC1(C)C2CC1(C)CC(C2)Nc1ccc(c(c1)C(F)(F)F)S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C21H29F3N2O2S/c1-19(2)14-8-16(11-20(19,3)10-14)26-15-6-7-18(17(9-15)21(22,23)24)29(27,28)25-12-13-4-5-13/h6-7,9,13-14,16,25-26H,4-5,8,10-12H2,1-3H3
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| InChIKey |
QNQBMKKGGDBJFE-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