General Information of the Compound
| Compound ID |
CP0561094
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| Compound Name |
(2-benzylphenyl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C26H25N3O2S
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| Molecular Weight |
443.572
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| Canonical SMILES |
O=C(N1CCN(Cc2csc(n2)-c2ccco2)CC1)c1ccccc1Cc1ccccc1
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| InChI |
InChI=1S/C26H25N3O2S/c30-26(23-10-5-4-9-21(23)17-20-7-2-1-3-8-20)29-14-12-28(13-15-29)18-22-19-32-25(27-22)24-11-6-16-31-24/h1-11,16,19H,12-15,17-18H2
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| InChIKey |
RUXCEDALJGNUSQ-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