General Information of the Compound
| Compound ID |
CP0438189
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| Compound Name |
(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-phenyl)-acetic acid
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| Structure |
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| Formula |
C22H29N3O6S
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| Molecular Weight |
463.556
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C22H29N3O6S/c1-32(30,31)24-19-13-16(4-7-20(19)26)21(27)14-23-17-8-10-25(11-9-17)18-5-2-15(3-6-18)12-22(28)29/h2-7,13,17,21,23-24,26-27H,8-12,14H2,1H3,(H,28,29)/t21-/m0/s1
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| InChIKey |
NVAVLMLMXNARGB-NRFANRHFSA-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