General Information of the Compound
| Compound ID |
CP0471100
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2-(4-phenyl-piperazin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C24H26BrN3O2
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| Molecular Weight |
468.395
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C24H26BrN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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| InChIKey |
COCBRLNWXSGWJZ-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