General Information of the Compound
| Compound ID |
CP0529762
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-benzyl-piperazin-1-yl)-ethyl ester
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| Structure |
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| Formula |
C21H26ClN3O3
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| Molecular Weight |
403.91
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H26ClN3O3/c1-27-20-14-19(23)18(22)13-17(20)21(26)28-12-11-24-7-9-25(10-8-24)15-16-5-3-2-4-6-16/h2-6,13-14H,7-12,15,23H2,1H3
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| InChIKey |
SHBKNTDLSDWDFF-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