General Information of the Compound
| Compound ID |
CP0451387
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| Compound Name |
2-[(1-phenyl-5-propan-2-ylpyrazol-3-yl)methyl]-3H-1,2-benzothiazole 1,1-dioxide
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| Structure |
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| Formula |
C20H21N3O2S
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| Molecular Weight |
367.474
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| Canonical SMILES |
CC(C)c1cc(CN2Cc3ccccc3S2(=O)=O)nn1-c1ccccc1
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| InChI |
InChI=1S/C20H21N3O2S/c1-15(2)19-12-17(21-23(19)18-9-4-3-5-10-18)14-22-13-16-8-6-7-11-20(16)26(22,24)25/h3-12,15H,13-14H2,1-2H3
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| InChIKey |
ZVWTWMKAOFXEDR-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