General Information of the Compound
| Compound ID |
CP0253702
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| Compound Name |
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-naphthalen-2-ylsulfonylpiperazine
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| Structure |
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| Formula |
C20H17ClF3N3O2S
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| Molecular Weight |
455.889
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| Canonical SMILES |
FC(F)(F)c1cnc(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1
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| InChI |
InChI=1S/C20H17ClF3N3O2S/c21-18-12-16(20(22,23)24)13-25-19(18)26-7-9-27(10-8-26)30(28,29)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13H,7-10H2
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| InChIKey |
SBLKQUPOVXEMDD-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