General Information of the Compound
| Compound ID |
CP0418183
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| Compound Name |
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylacetic acid
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| Structure |
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| Formula |
C15H10ClNO2S2
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| Molecular Weight |
335.837
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| Canonical SMILES |
OC(=O)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
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| InChI |
InChI=1S/C15H10ClNO2S2/c16-10-6-7-12-11(8-10)17-15(20-12)21-13(14(18)19)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)
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| InChIKey |
RZBXFBBFXGSOEX-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