General Information of the Compound
| Compound ID |
CP0938835
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| Compound Name |
2-Oxo-4-(3-bromophenyl)-3-pyrrolidinecarboxylic acid [1-(3-bromophenyl)-(E/Z)-ethylidene]-hydrazide
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| Structure |
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| Formula |
C19H17Br2N3O2
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| Molecular Weight |
479.172
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| Canonical SMILES |
C/C(=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1cccc(Br)c1)c1cccc(Br)c1
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| InChI |
InChI=1S/C19H17Br2N3O2/c1-11(12-4-2-6-14(20)8-12)23-24-19(26)17-16(10-22-18(17)25)13-5-3-7-15(21)9-13/h2-9,16-17H,10H2,1H3,(H,22,25)(H,24,26)/b23-11+/t16-,17-/m0/s1
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| InChIKey |
NBAVZVQWZAYJHS-FKDRWTFESA-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