General Information of the Compound
| Compound ID |
CP0932538
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| Compound Name |
methyl 3-(3,4-dichlorophenyl)-7-aza-bicyclo[2.2.1]hept-2-ene-2-carboxylate
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| Structure |
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| Formula |
C14H13Cl2NO2
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| Molecular Weight |
298.169
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| Canonical SMILES |
COC(=O)C1=C(c2ccc(Cl)c(Cl)c2)C2CCC1N2
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| InChI |
InChI=1S/C14H13Cl2NO2/c1-19-14(18)13-11-5-4-10(17-11)12(13)7-2-3-8(15)9(16)6-7/h2-3,6,10-11,17H,4-5H2,1H3
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| InChIKey |
HOMDNKBRXQHFOD-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