General Information of the Compound
| Compound ID |
CP0186663
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| Compound Name |
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-methylsulfonyloctanamide
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| Structure |
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| Formula |
C16H21ClN2O3S3
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| Molecular Weight |
421.009
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| Canonical SMILES |
CCCCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C16H21ClN2O3S3/c1-3-4-5-6-7-14(15(20)19-25(2,21)22)24-16-18-12-10-11(17)8-9-13(12)23-16/h8-10,14H,3-7H2,1-2H3,(H,19,20)
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| InChIKey |
HOLDBPMXIXHGBE-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