General Information of the Compound
| Compound ID |
CP0428547
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| Compound Name |
3-bromo-2-hydroxy-6-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
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| Structure |
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| Formula |
C20H24BrN3O3
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| Molecular Weight |
434.334
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| Canonical SMILES |
COc1ccc(Br)c(O)c1C(=O)NCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H24BrN3O3/c1-27-17-8-7-16(21)19(25)18(17)20(26)22-9-10-23-11-13-24(14-12-23)15-5-3-2-4-6-15/h2-8,25H,9-14H2,1H3,(H,22,26)
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| InChIKey |
UTRNBIMBKRRKDH-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