General Information of the Compound
| Compound ID |
CP0910715
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| Compound Name |
rac-N-cyclopropyl-N-(1-(5-fluoro-2-(methylsulfonyl)benzoyl)pyrrolidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C22H22F4N2O5S2
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| Molecular Weight |
534.553
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| Canonical SMILES |
CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
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| InChI |
InChI=1S/C22H22F4N2O5S2/c1-34(30,31)20-8-5-15(23)12-19(20)21(29)27-10-9-17(13-27)28(16-6-7-16)35(32,33)18-4-2-3-14(11-18)22(24,25)26/h2-5,8,11-12,16-17H,6-7,9-10,13H2,1H3
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| InChIKey |
QLDINCOHLBIUPI-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