General Information of the Compound
| Compound ID |
CP0437414
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| Compound Name |
methyl 2-[[4-[3-(4-bromophenyl)-3-phenylpropanoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylate
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| Structure |
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| Formula |
C25H26BrN3O4
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| Molecular Weight |
512.404
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| Canonical SMILES |
COC(=O)c1coc(CN2CCN(CC2)C(=O)CC(c2ccccc2)c2ccc(Br)cc2)n1
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| InChI |
InChI=1S/C25H26BrN3O4/c1-32-25(31)22-17-33-23(27-22)16-28-11-13-29(14-12-28)24(30)15-21(18-5-3-2-4-6-18)19-7-9-20(26)10-8-19/h2-10,17,21H,11-16H2,1H3
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| InChIKey |
VSFWLBXPYDIPLU-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