General Information of the Compound
| Compound ID |
CP0376353
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| Compound Name |
2-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C21H23N3O5S
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| Molecular Weight |
429.498
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| Canonical SMILES |
O=C1N(CCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C21H23N3O5S/c25-21-16-4-1-2-7-19(16)30(26,27)24(21)13-10-22-8-11-23(12-9-22)17-5-3-6-18-20(17)29-15-14-28-18/h1-7H,8-15H2
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| InChIKey |
UDLXKQIXEQMPBZ-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