General Information of the Compound
| Compound ID |
CP0863135
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| Compound Name |
N-[3-(2-{1-[4-((R)-2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-phenyl]-methanesulfonamide
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| Structure |
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| Formula |
C24H30N4O5S2
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| Molecular Weight |
518.661
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| Canonical SMILES |
CS(=O)(=O)Nc1cccc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)c1
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| InChI |
InChI=1S/C24H30N4O5S2/c1-35(32,33)27-19-4-2-3-17(14-19)21(29)15-25-18-9-11-28(12-10-18)20-7-5-16(6-8-20)13-22-23(30)26-24(31)34-22/h2-8,14,18,21-22,25,27,29H,9-13,15H2,1H3,(H,26,30,31)/t21-,22?/m0/s1
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| InChIKey |
BFGUKMAGBVXKJK-HMTLIYDFSA-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