General Information of the Compound
| Compound ID |
CP0118698
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| Compound Name |
4,4-dimethyl-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((4-o-tolylpiperidin-1-ylsulfonyl)methyl)piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H39N3O7S
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| Molecular Weight |
537.679
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| Canonical SMILES |
Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1COCC1(C)C)C(=O)NO
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| InChI |
InChI=1S/C26H39N3O7S/c1-19-6-4-5-7-21(19)20-8-12-29(13-9-20)37(33,34)18-26(23(30)27-32)10-14-28(15-11-26)24(31)36-22-16-35-17-25(22,2)3/h4-7,20,22,32H,8-18H2,1-3H3,(H,27,30)
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| InChIKey |
VVHOXHYIVMZQIO-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