General Information of the Compound
| Compound ID |
CP0512303
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| Compound Name |
US9340500, I-026
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| Structure |
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| Formula |
C23H24F3N3O3S
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| Molecular Weight |
479.524
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCNS(C)(=O)=O)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N3O3S/c1-16-20(22(30)28-19-11-6-10-18(14-19)23(24,25)26)15-21(17-8-4-3-5-9-17)29(16)13-7-12-27-33(2,31)32/h3-6,8-11,14-15,27H,7,12-13H2,1-2H3,(H,28,30)
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| InChIKey |
DINKGEARRXMYEP-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