General Information of the Compound
| Compound ID |
CP0195808
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| Compound Name |
pyrrolidin-3-yl 4-(hydroxycarbamoyl)-4-[[4-(2-methylphenyl)piperidin-1-yl]sulfonylmethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H36N4O6S
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| Molecular Weight |
508.641
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| Canonical SMILES |
Cc1ccccc1C1CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC1CCNC1)C(=O)NO
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| InChI |
InChI=1S/C24H36N4O6S/c1-18-4-2-3-5-21(18)19-7-12-28(13-8-19)35(32,33)17-24(22(29)26-31)9-14-27(15-10-24)23(30)34-20-6-11-25-16-20/h2-5,19-20,25,31H,6-17H2,1H3,(H,26,29)
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| InChIKey |
PWJXCFJUGNPSAZ-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