General Information of the Compound
| Compound ID |
CP0151330
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| Compound Name |
3-[4-({[5-(Phenylsulfonyl)-2-(trifluoromethyl)phenyl]-sulfonyl}amino)piperidin-1-yl]propanoic acid
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| Structure |
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| Formula |
C21H23F3N2O6S2
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| Molecular Weight |
520.551
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| Canonical SMILES |
OC(=O)CCN1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H23F3N2O6S2/c22-21(23,24)18-7-6-17(33(29,30)16-4-2-1-3-5-16)14-19(18)34(31,32)25-15-8-11-26(12-9-15)13-10-20(27)28/h1-7,14-15,25H,8-13H2,(H,27,28)
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| InChIKey |
CINMAWWAAKERIH-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