General Information of the Compound
| Compound ID |
CP0439606
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| Compound Name |
4-[2-(4-Amino-5-chloro-2-methoxy-benzoyloxy)-ethyl]-piperazine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C19H28ClN3O5
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| Molecular Weight |
413.902
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C19H28ClN3O5/c1-19(2,3)28-18(25)23-7-5-22(6-8-23)9-10-27-17(24)13-11-14(20)15(21)12-16(13)26-4/h11-12H,5-10,21H2,1-4H3
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| InChIKey |
UJXLXJDUNDJGJC-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