General Information of the Compound
| Compound ID |
CP0508520
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| Compound Name |
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)sulfonylpentanamide
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| Structure |
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| Formula |
C18H16ClN3O5S3
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| Molecular Weight |
485.996
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| Canonical SMILES |
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H16ClN3O5S3/c1-2-3-16(29-18-20-14-10-11(19)4-9-15(14)28-18)17(23)21-30(26,27)13-7-5-12(6-8-13)22(24)25/h4-10,16H,2-3H2,1H3,(H,21,23)
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| InChIKey |
BEIQSAXXWHREFS-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