General Information of the Compound
| Compound ID |
CP0307916
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| Compound Name |
2-chloro-N-[(4-chlorophenyl)sulfanylmethyl]aniline
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| Structure |
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| Formula |
C13H11Cl2NS
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| Molecular Weight |
284.211
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| Canonical SMILES |
Clc1ccc(SCNc2ccccc2Cl)cc1
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| InChI |
InChI=1S/C13H11Cl2NS/c14-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)15/h1-8,16H,9H2
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| InChIKey |
XZNRWQBIKFBITL-UHFFFAOYSA-N
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| CAS |
956-34-3
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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