General Information of the Compound
| Compound ID |
CP0557858
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| Compound Name |
CHEMBL4239428
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| Formula |
C25H22F3N3O2S
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| Molecular Weight |
485.531
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| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2cccc(c2)C#N)nc1
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| InChI |
InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-6-13-24(30-16-20)31-21-7-11-23(12-8-21)34(32,33)22-9-4-18(5-10-22)19-3-1-2-17(14-19)15-29/h1-6,9-10,13-14,16,21,23H,7-8,11-12H2,(H,30,31)/t21-,23-
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| InChIKey |
GIKWRUQGUQLUEY-AFARHQOCSA-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