General Information of the Compound
| Compound ID |
CP0495816
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| Compound Name |
Piperidine-1-sulfonic acid (3-methyl-benzo[b]thiophen-2-yl)-(4-trifluoromethoxy-benzyl)-amide
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| Structure |
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| Formula |
C23H25F3N2O3S2
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| Molecular Weight |
498.592
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(COC(F)(F)F)cc1)S(=O)(=O)N1CCCCC1
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| InChI |
InChI=1S/C23H25F3N2O3S2/c1-17-20-7-3-4-8-21(20)32-22(17)28(33(29,30)27-13-5-2-6-14-27)15-18-9-11-19(12-10-18)16-31-23(24,25)26/h3-4,7-12H,2,5-6,13-16H2,1H3
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| InChIKey |
YEFAAEZZLMYOAH-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