General Information of the Compound
| Compound ID |
CP0396565
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| Compound Name |
CHEMBL4249063
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| Formula |
C24H21F3N4O2S
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| Molecular Weight |
486.519
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| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(nc2)C#N)nc1
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| InChI |
InChI=1S/C24H21F3N4O2S/c25-24(26,27)18-4-12-23(30-15-18)31-19-6-10-22(11-7-19)34(32,33)21-8-2-16(3-9-21)17-1-5-20(13-28)29-14-17/h1-5,8-9,12,14-15,19,22H,6-7,10-11H2,(H,30,31)/t19-,22-
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| InChIKey |
FDAZEQODSOATPX-XYWHTSSQSA-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