General Information of the Compound
| Compound ID |
CP0807122
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| Compound Name |
S-(4-Chlorobenzyl)-N,N'-dimethylthiourea hydroperchlorate
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| Structure |
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| Formula |
C10H14Cl2N2O4S
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| Molecular Weight |
329.205
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| Canonical SMILES |
C/N=C(\NC)SCc1ccc(Cl)cc1.[O-][Cl+3]([O-])([O-])O
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| InChI |
InChI=1S/C10H13ClN2S.ClHO4/c1-12-10(13-2)14-7-8-3-5-9(11)6-4-8;2-1(3,4)5/h3-6H,7H2,1-2H3,(H,12,13);(H,2,3,4,5)
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| InChIKey |
BMXIYHFTLPAQQM-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