General Information of the Compound
| Compound ID |
CP0483281
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| Compound Name |
(2R)-1-(4-methylphenyl)sulfonyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C22H22N4O5S2
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| Molecular Weight |
486.575
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1nc(cs1)-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H22N4O5S2/c1-15-5-11-18(12-6-15)33(30,31)25-13-3-2-4-20(25)21(27)24-22-23-19(14-32-22)16-7-9-17(10-8-16)26(28)29/h5-12,14,20H,2-4,13H2,1H3,(H,23,24,27)/t20-/m1/s1
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| InChIKey |
KSJPANOFHAQMDD-HXUWFJFHSA-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