General Information of the Compound
| Compound ID |
CP0860113
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| Compound Name |
4-Amino-5-chloro-2-methoxy-benzoic acid 3-(4-cyclohexa-2,4-dienyl-piperazin-1-yl)-propyl 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)OCCCN1CCN(c2ccccc2)CC1
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| InChI |
InChI=1S/C21H26ClN3O3/c1-27-20-15-19(23)18(22)14-17(20)21(26)28-13-5-8-24-9-11-25(12-10-24)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13,23H2,1H3
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| InChIKey |
UVJONCARFJZSSE-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