General Information of the Compound
| Compound ID |
CP0562907
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| Compound Name |
US9422235, 83
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| Structure |
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| Formula |
C24H33F3N2O4S
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| Molecular Weight |
502.599
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| Canonical SMILES |
CC(C)(C)OC(=O)CN(CC1CC1)S(=O)(=O)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F
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| InChI |
InChI=1S/C24H33F3N2O4S/c1-23(2,3)33-22(30)14-29(13-15-4-5-15)34(31,32)21-9-8-18(12-19(21)24(25,26)27)28-20-11-16-6-7-17(20)10-16/h8-9,12,15-17,20,28H,4-7,10-11,13-14H2,1-3H3
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| InChIKey |
MDMVGCFEJNRWDX-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