General Information of the Compound
| Compound ID |
CP0496913
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| Compound Name |
4-Bromo-1-ethoxy-naphthalene-2-carboxylic acid [2-(4-phenyl-piperazin-1-yl)-ethyl]-amide
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| Structure |
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| Formula |
C25H28BrN3O2
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| Molecular Weight |
482.422
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| Canonical SMILES |
CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28BrN3O2/c1-2-31-24-21-11-7-6-10-20(21)23(26)18-22(24)25(30)27-12-13-28-14-16-29(17-15-28)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3,(H,27,30)
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| InChIKey |
NIWKHEZQCOEGDD-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