General Information of the Compound
| Compound ID |
CP0571824
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| Compound Name |
S-(2-chlorophenyl) N-(4-chlorophenyl)carbamothioate
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| Structure |
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| Formula |
C13H9Cl2NOS
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| Molecular Weight |
298.194
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| Canonical SMILES |
Clc1ccc(NC(=O)Sc2ccccc2Cl)cc1
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| InChI |
InChI=1S/C13H9Cl2NOS/c14-9-5-7-10(8-6-9)16-13(17)18-12-4-2-1-3-11(12)15/h1-8H,(H,16,17)
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| InChIKey |
OPKGTAFVJJSZJO-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