General Information of the Compound
| Compound ID |
CP0521092
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| Compound Name |
(2S,4E)-N-[(2,4-dichlorophenyl)methyl]-4-hydroxyimino-5-oxo-1-thiophen-2-ylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C16H13Cl2N3O3S
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| Molecular Weight |
398.271
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| Canonical SMILES |
O\N=C1/C[C@H](N(C1=O)c1cccs1)C(=O)NCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C16H13Cl2N3O3S/c17-10-4-3-9(11(18)6-10)8-19-15(22)13-7-12(20-24)16(23)21(13)14-2-1-5-25-14/h1-6,13,24H,7-8H2,(H,19,22)/b20-12+/t13-/m0/s1
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| InChIKey |
ABRCUVAJIWIZPZ-DZUMZMOTSA-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