General Information of the Compound
| Compound ID |
CP0511130
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| Compound Name |
4-bromo-N-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
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| Structure |
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| Formula |
C25H27BrClN3O2
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| Molecular Weight |
516.867
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1C
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| InChI |
InChI=1S/C25H27BrClN3O2/c1-17-22(27)8-5-9-23(17)30-14-12-29(13-15-30)11-10-28-25(31)20-16-21(26)18-6-3-4-7-19(18)24(20)32-2/h3-9,16H,10-15H2,1-2H3,(H,28,31)
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| InChIKey |
SATOYXZJVAZVKU-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