General Information of the Compound
| Compound ID |
CP0115766
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| Compound Name |
N-[1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-yl]-5-ethylsulfonyl-1,3-benzoxazol-2-amine
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| Structure |
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| Formula |
C28H37N3O6S
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| Molecular Weight |
543.686
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| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)cc(OC2CCOCC2)c1
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| InChI |
InChI=1S/C28H37N3O6S/c1-3-35-23-15-20(16-24(17-23)36-22-9-13-34-14-10-22)19-31-11-7-21(8-12-31)29-28-30-26-18-25(38(32,33)4-2)5-6-27(26)37-28/h5-6,15-18,21-22H,3-4,7-14,19H2,1-2H3,(H,29,30)
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| InChIKey |
FRDOPYUUNJUZKI-UHFFFAOYSA-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