General Information of the Compound
| Compound ID |
CP0451328
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| Compound Name |
4-(4-{(R)-2-Hydroxy-2-[4-hydroxy-3-(methanesulfonyl-methyl-amino)-phenyl]-ethylamino}-piperidin-1-yl)-benzoic 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 |
CN(c1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(O)=O)S(C)(=O)=O
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| InChI |
InChI=1S/C22H29N3O6S/c1-24(32(2,30)31)19-13-16(5-8-20(19)26)21(27)14-23-17-9-11-25(12-10-17)18-6-3-15(4-7-18)22(28)29/h3-8,13,17,21,23,26-27H,9-12,14H2,1-2H3,(H,28,29)/t21-/m0/s1
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| InChIKey |
HEFLASZPSAGYOP-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