General Information of the Compound
| Compound ID |
CP0569321
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| Compound Name |
6-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]sulfonyl-1,3-benzothiazole
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| Structure |
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| Formula |
C17H20N4O2S3
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| Molecular Weight |
408.574
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| Canonical SMILES |
Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2ncsc2c1
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| InChI |
InChI=1S/C17H20N4O2S3/c1-20-9-6-18-17(20)24-11-13-4-7-21(8-5-13)26(22,23)14-2-3-15-16(10-14)25-12-19-15/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3
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| InChIKey |
VMYWWZSAUHYHKM-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