General Information of the Compound
| Compound ID |
CP0181362
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| Compound Name |
3-{[4-({[5-(Phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)piperidin-1-yl]sulfonyl}benzoic acid
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| Structure |
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| Formula |
C25H23F3N2O8S3
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| Molecular Weight |
632.66
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H23F3N2O8S3/c26-25(27,28)22-10-9-20(39(33,34)19-6-2-1-3-7-19)16-23(22)40(35,36)29-18-11-13-30(14-12-18)41(37,38)21-8-4-5-17(15-21)24(31)32/h1-10,15-16,18,29H,11-14H2,(H,31,32)
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| InChIKey |
NXCMKECHBLCASW-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