General Information of the Compound
| Compound ID |
CP0050579
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| Compound Name |
(S)-tetrahydrofuran-3-yl 4-((4-(3,5-dimethylphenyl)piperidin-1-ylsulfonyl)methyl)-4-(hydroxycarbamoyl)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 |
Cc1cc(C)cc(c1)C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO
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| InChI |
InChI=1S/C25H37N3O7S/c1-18-13-19(2)15-21(14-18)20-3-8-28(9-4-20)36(32,33)17-25(23(29)26-31)6-10-27(11-7-25)24(30)35-22-5-12-34-16-22/h13-15,20,22,31H,3-12,16-17H2,1-2H3,(H,26,29)/t22-/m0/s1
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| InChIKey |
ANOPQMHOFNTJCB-QFIPXVFZSA-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