General Information of the Compound
| Compound ID |
CP0158852
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C21H26ClN3O4
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| Molecular Weight |
419.909
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1
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| InChI |
InChI=1S/C21H26ClN3O4/c1-27-16-5-3-15(4-6-16)25-9-7-24(8-10-25)11-12-29-21(26)17-13-18(22)19(23)14-20(17)28-2/h3-6,13-14H,7-12,23H2,1-2H3
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| InChIKey |
XQHVMHQIMOXAQD-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