General Information of the Compound
| Compound ID |
CP0527579
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| Compound Name |
5-(4-bromophenyl)-N-[2-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C25H28BrN3O3
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| Molecular Weight |
498.421
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| Canonical SMILES |
COc1ccccc1C(CNC(=O)c1cc(on1)-c1ccc(Br)cc1)N1CCC(C)CC1
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| InChI |
InChI=1S/C25H28BrN3O3/c1-17-11-13-29(14-12-17)22(20-5-3-4-6-23(20)31-2)16-27-25(30)21-15-24(32-28-21)18-7-9-19(26)10-8-18/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,27,30)
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| InChIKey |
KXJLNPLYEOWYLU-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