General Information of the Compound
| Compound ID |
CP0504843
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C20H23ClFN3O3
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| Molecular Weight |
407.873
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H23ClFN3O3/c1-27-19-13-18(23)17(21)12-16(19)20(26)28-11-10-24-6-8-25(9-7-24)15-4-2-14(22)3-5-15/h2-5,12-13H,6-11,23H2,1H3
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| InChIKey |
AHSZYFPXZMOGPF-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