General Information of the Compound
| Compound ID |
CP0265629
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| Compound Name |
5-(Phenylsulfonyl)-N-{1-[(3R)-pyrrolidin-3-ylcarbonyl]-piperidin-4-yl}-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C23H26F3N3O5S2
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| Molecular Weight |
545.605
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCNC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H26F3N3O5S2/c24-23(25,26)20-7-6-19(35(31,32)18-4-2-1-3-5-18)14-21(20)36(33,34)28-17-9-12-29(13-10-17)22(30)16-8-11-27-15-16/h1-7,14,16-17,27-28H,8-13,15H2/t16-/m1/s1
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| InChIKey |
GMKQKEGOSSISFQ-MRXNPFEDSA-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