General Information of the Compound
| Compound ID |
CP0416489
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| Compound Name |
CHEMBL4242401
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| Formula |
C24H23F3N2O2S
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| Molecular Weight |
460.521
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| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccccc2)nc1
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| InChI |
InChI=1S/C24H23F3N2O2S/c25-24(26,27)19-8-15-23(28-16-19)29-20-9-13-22(14-10-20)32(30,31)21-11-6-18(7-12-21)17-4-2-1-3-5-17/h1-8,11-12,15-16,20,22H,9-10,13-14H2,(H,28,29)/t20-,22-
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| InChIKey |
SZRSGQLLZMZXLZ-AQYVVDRMSA-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