General Information of the Compound
| Compound ID |
CP0543609
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| Compound Name |
4-bromo-1-ethoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C26H27BrF3N3O2
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| Molecular Weight |
550.419
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| Canonical SMILES |
CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C26H27BrF3N3O2/c1-2-35-24-21-9-4-3-8-20(21)23(27)17-22(24)25(34)31-10-11-32-12-14-33(15-13-32)19-7-5-6-18(16-19)26(28,29)30/h3-9,16-17H,2,10-15H2,1H3,(H,31,34)
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| InChIKey |
NCTMTTCLCOVETH-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