General Information of the Compound
| Compound ID |
CP0140017
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| Compound Name |
4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-N-hydroxy-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C23H28N4O4S
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| Molecular Weight |
456.568
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| Canonical SMILES |
CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
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| InChI |
InChI=1S/C23H28N4O4S/c1-2-3-12-25-20-4-6-21(7-5-20)32(30,31)18-23(22(28)26-29)10-15-27(16-11-23)17-19-8-13-24-14-9-19/h4-9,13-14,25,29H,10-12,15-18H2,1H3,(H,26,28)
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| InChIKey |
CLSBMSGIRGYRMI-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