General Information of the Compound
| Compound ID |
CP0528737
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| Compound Name |
N-(benzenesulfonyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]octanamide
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| Structure |
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| Formula |
C21H23ClN2O3S3
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| Molecular Weight |
483.08
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| Canonical SMILES |
CCCCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H23ClN2O3S3/c1-2-3-4-8-11-19(20(25)24-30(26,27)16-9-6-5-7-10-16)29-21-23-17-14-15(22)12-13-18(17)28-21/h5-7,9-10,12-14,19H,2-4,8,11H2,1H3,(H,24,25)
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| InChIKey |
ZUXZKZCYIPMAJX-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