General Information of the Compound
| Compound ID |
CP0405658
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| Compound Name |
methyl 2-(4-nitrophenyl)cyclopentene-1-carboxylate
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| Structure |
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| Formula |
C13H13NO4
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| Molecular Weight |
247.25
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| Canonical SMILES |
COC(=O)C1=C(CCC1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H13NO4/c1-18-13(15)12-4-2-3-11(12)9-5-7-10(8-6-9)14(16)17/h5-8H,2-4H2,1H3
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| InChIKey |
BWUZPMKOTOLHJN-UHFFFAOYSA-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