General Information of the Compound
| Compound ID |
CP0933242
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| Compound Name |
2-Oxo-4-phenyl-3-pyrrolidinecarboxylic acid [1-(5-bromo-thiophen-2-yl)-(E/Z)-ethylidene]-hydrazide
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| Structure |
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| Formula |
C17H16BrN3O2S
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| Molecular Weight |
406.305
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| Canonical SMILES |
C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1ccc(Br)s1
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| InChI |
InChI=1S/C17H16BrN3O2S/c1-10(13-7-8-14(18)24-13)20-21-17(23)15-12(9-19-16(15)22)11-5-3-2-4-6-11/h2-8,12,15H,9H2,1H3,(H,19,22)(H,21,23)/b20-10+/t12-,15-/m0/s1
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| InChIKey |
IXWJNJAJGQXLEK-DNIDMCMJSA-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