General Information of the Compound
| Compound ID |
CP0178548
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| Compound Name |
(3S)-4-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
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| Structure |
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| Formula |
C17H23N3O4S2
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| Molecular Weight |
397.522
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| Canonical SMILES |
CC#CCNc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
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| InChI |
InChI=1S/C17H23N3O4S2/c1-4-5-10-18-13-6-8-14(9-7-13)26(23,24)20-11-12-25-17(2,3)15(20)16(21)19-22/h6-9,15,18,22H,10-12H2,1-3H3,(H,19,21)/t15-/m0/s1
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| InChIKey |
YLRFPZVTHHHQAF-HNNXBMFYSA-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