General Information of the Compound
| Compound ID |
CP0559973
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| Compound Name |
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-(furan-2-yl)-1,3-thiazole
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| Structure |
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| Formula |
C20H21N3O5S2
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| Molecular Weight |
447.538
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| Canonical SMILES |
O=S(=O)(N1CCN(Cc2nc(cs2)-c2ccco2)CC1)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C20H21N3O5S2/c24-30(25,15-3-4-18-19(12-15)28-11-10-27-18)23-7-5-22(6-8-23)13-20-21-16(14-29-20)17-2-1-9-26-17/h1-4,9,12,14H,5-8,10-11,13H2
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| InChIKey |
QAXNVDSYUJXLQC-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