General Information of the Compound
| Compound ID |
CP0466481
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| Compound Name |
US9422235, 98
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| Structure |
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| Formula |
C18H25F3N2O2S
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| Molecular Weight |
390.471
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| Canonical SMILES |
CCCN(CC1CC1)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C18H25F3N2O2S/c1-2-9-23(12-14-5-6-14)15-7-8-17(16(10-15)18(19,20)21)26(24,25)22-11-13-3-4-13/h7-8,10,13-14,22H,2-6,9,11-12H2,1H3
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| InChIKey |
SZZWOOZTTLCETB-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