General Information of the Compound
| Compound ID |
CP0271556
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| Compound Name |
4-{(S)-3-[1-(4-Butoxy-benzenesulfonyl)-piperidin-4-ylamino]-2-hydroxy-propoxy}-phenol
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| Structure |
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| Formula |
C24H34N2O6S
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| Molecular Weight |
478.611
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| Canonical SMILES |
CCCCOc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1
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| InChI |
InChI=1S/C24H34N2O6S/c1-2-3-16-31-22-8-10-24(11-9-22)33(29,30)26-14-12-19(13-15-26)25-17-21(28)18-32-23-6-4-20(27)5-7-23/h4-11,19,21,25,27-28H,2-3,12-18H2,1H3/t21-/m0/s1
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| InChIKey |
MHXSHTNSMDWWQO-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