General Information of the Compound
| Compound ID |
CP0487301
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| Compound Name |
4-bromo-1-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C26H30BrN3O3
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| Molecular Weight |
512.448
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| Canonical SMILES |
CCOc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1OC
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| InChI |
InChI=1S/C26H30BrN3O3/c1-3-33-25-20-9-5-4-8-19(20)22(27)18-21(25)26(31)28-12-13-29-14-16-30(17-15-29)23-10-6-7-11-24(23)32-2/h4-11,18H,3,12-17H2,1-2H3,(H,28,31)
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| InChIKey |
CPQUBMVKDMAUMG-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