General Information of the Compound
| Compound ID |
CP0282501
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| Compound Name |
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-methylsulfonylhexanamide
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| Structure |
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| Formula |
C14H17ClN2O3S3
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| Molecular Weight |
392.955
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| Canonical SMILES |
CCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C14H17ClN2O3S3/c1-3-4-5-12(13(18)17-23(2,19)20)22-14-16-10-8-9(15)6-7-11(10)21-14/h6-8,12H,3-5H2,1-2H3,(H,17,18)
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| InChIKey |
MWWZXPUSIUYFHL-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