General Information of the Compound
| Compound ID |
CP0264045
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| Compound Name |
3-methyl-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 |
C25H37N3O7S
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| Molecular Weight |
523.652
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| Canonical SMILES |
Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1(C)CCOC1)C(=O)NO
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| InChI |
InChI=1S/C25H37N3O7S/c1-19-5-3-4-6-21(19)20-7-12-28(13-8-20)36(32,33)18-25(22(29)26-31)9-14-27(15-10-25)23(30)35-24(2)11-16-34-17-24/h3-6,20,31H,7-18H2,1-2H3,(H,26,29)
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| InChIKey |
CTRWITLGGIGPOB-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