General Information of the Compound
| Compound ID |
CP0868627
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| Compound Name |
2-Oxo-4-phenyl-3-pyrrolidinecarboxylic acid [1-(thiophen-2-yl)-(E/Z)-ethylidene]-hydrazide
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| Structure |
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| Formula |
C17H17N3O2S
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| Molecular Weight |
327.409
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| Canonical SMILES |
C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C17H17N3O2S/c1-11(14-8-5-9-23-14)19-20-17(22)15-13(10-18-16(15)21)12-6-3-2-4-7-12/h2-9,13,15H,10H2,1H3,(H,18,21)(H,20,22)/b19-11+/t13-,15-/m0/s1
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| InChIKey |
GNFXCDMTRHENBV-CJINARDKSA-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