General Information of the Compound
| Compound ID |
CP0449155
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| Compound Name |
4-[2-(4-Amino-5-chloro-2-methoxy-benzoyloxy)-ethyl]-piperazine-1-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C17H24ClN3O5
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| Molecular Weight |
385.848
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| Canonical SMILES |
CCOC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
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| InChI |
InChI=1S/C17H24ClN3O5/c1-3-25-17(23)21-6-4-20(5-7-21)8-9-26-16(22)12-10-13(18)14(19)11-15(12)24-2/h10-11H,3-9,19H2,1-2H3
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| InChIKey |
MKJUSWFBSFKEPH-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