General Information of the Compound
| Compound ID |
CP0055685
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| Compound Name |
3-(4-fluorophenyl)-1-(4-((6-methylbenzo[d]oxazol-2-yl)methyl)piperazin-1-yl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C28H28FN3O2
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| Molecular Weight |
457.549
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| Canonical SMILES |
Cc1ccc2nc(CN3CCN(CC3)C(=O)CC(c3ccccc3)c3ccc(F)cc3)oc2c1
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| InChI |
InChI=1S/C28H28FN3O2/c1-20-7-12-25-26(17-20)34-27(30-25)19-31-13-15-32(16-14-31)28(33)18-24(21-5-3-2-4-6-21)22-8-10-23(29)11-9-22/h2-12,17,24H,13-16,18-19H2,1H3
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| InChIKey |
FVLQKNRKUQBQBB-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