General Information of the Compound
| Compound ID |
CP0874997
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| Compound Name |
N-[5-(2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide
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| Structure |
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| Formula |
C24H28N4O6S2
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| Molecular Weight |
532.644
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\SC(=O)NC4=O)cc3)CC2)ccc1O
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| InChI |
InChI=1S/C24H28N4O6S2/c1-36(33,34)27-19-13-16(4-7-20(19)29)21(30)14-25-17-8-10-28(11-9-17)18-5-2-15(3-6-18)12-22-23(31)26-24(32)35-22/h2-7,12-13,17,21,25,27,29-30H,8-11,14H2,1H3,(H,26,31,32)/b22-12-
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| InChIKey |
YMUVEBMQVDDYQI-UUYOSTAYSA-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