General Information of the Compound
| Compound ID |
CP0450141
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| Compound Name |
US8772297, Y145
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| Structure |
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| Formula |
C24H30F3N3O6S2
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| Molecular Weight |
577.647
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H30F3N3O6S2/c1-23(2,3)36-22(31)30-13-11-17(12-14-30)16-28-37(32,33)20-5-4-6-21(15-20)38(34,35)29-19-9-7-18(8-10-19)24(25,26)27/h4-10,15,17,28-29H,11-14,16H2,1-3H3
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| InChIKey |
GXPNFGXPRGEFOB-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