General Information of the Compound
| Compound ID |
CP0502284
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| Compound Name |
(2R)-1-(4-(1-fluoroethyl)phenylsulfonyl)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazine
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| Structure |
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| Formula |
C20H26FN3O2S
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| Molecular Weight |
391.512
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| Canonical SMILES |
CC(F)c1ccc(cc1)S(=O)(=O)N1CCN(CCc2ccncc2)C[C@H]1C
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| InChI |
InChI=1S/C20H26FN3O2S/c1-16-15-23(12-9-18-7-10-22-11-8-18)13-14-24(16)27(25,26)20-5-3-19(4-6-20)17(2)21/h3-8,10-11,16-17H,9,12-15H2,1-2H3/t16-,17?/m1/s1
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| InChIKey |
GXBKOWOGUVVAOL-TZHYSIJRSA-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