General Information of the Compound
| Compound ID |
CP0412116
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| Compound Name |
methyl 2-[[4-[3-(4-chlorophenyl)-3-(4-fluorophenyl)propanoyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylate
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| Structure |
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| Formula |
C25H25ClFN3O4
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| Molecular Weight |
485.943
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| Canonical SMILES |
COC(=O)c1coc(CN2CCN(CC2)C(=O)CC(c2ccc(F)cc2)c2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C25H25ClFN3O4/c1-33-25(32)22-16-34-23(28-22)15-29-10-12-30(13-11-29)24(31)14-21(17-2-6-19(26)7-3-17)18-4-8-20(27)9-5-18/h2-9,16,21H,10-15H2,1H3
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| InChIKey |
OMXOKFHDANWMNV-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