General Information of the Compound
| Compound ID |
CP0512390
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| Compound Name |
methyl 3-(4-nitrophenyl)-7-azabicyclo[2.2.1]hept-2-ene-2-carboxylate
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| Structure |
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| Formula |
C14H14N2O4
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| Molecular Weight |
274.276
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| Canonical SMILES |
COC(=O)C1=C(C2CCC1N2)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H14N2O4/c1-20-14(17)13-11-7-6-10(15-11)12(13)8-2-4-9(5-3-8)16(18)19/h2-5,10-11,15H,6-7H2,1H3
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| InChIKey |
AQLXYFDUEYMEOO-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