General Information of the Compound
| Compound ID |
CP0741529
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| Compound Name |
[5-(4-{4-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-benzyl)-2,4-dioxo-thiazolidin-3-yl]-acetic acid
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| Structure |
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| Formula |
C26H32N4O8S2
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| Molecular Weight |
592.696
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| Canonical SMILES |
CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O
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| InChI |
InChI=1S/C26H32N4O8S2/c1-40(37,38)28-20-13-17(4-7-21(20)31)22(32)14-27-18-8-10-29(11-9-18)19-5-2-16(3-6-19)12-23-25(35)30(15-24(33)34)26(36)39-23/h2-7,13,18,22-23,27-28,31-32H,8-12,14-15H2,1H3,(H,33,34)/t22-,23?/m0/s1
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| InChIKey |
YAMUDQXLOYISEJ-NQCNTLBGSA-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