General Information of the Compound
| Compound ID |
CP0451930
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| Compound Name |
US9340500, I-119
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| Formula |
C23H32F3N3O2S
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| Molecular Weight |
471.589
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| Canonical SMILES |
CN[C@H]1CC[C@H](CC1)n1c(C)c(cc1C(C)(C)C)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H32F3N3O2S/c1-15-20(32(30,31)28-18-8-6-7-16(13-18)23(24,25)26)14-21(22(2,3)4)29(15)19-11-9-17(27-5)10-12-19/h6-8,13-14,17,19,27-28H,9-12H2,1-5H3/t17-,19+
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| InChIKey |
AQXLRIPBGHAJFJ-IZAXUBKRSA-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