General Information of the Compound
| Compound ID |
CP0049257
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| Compound Name |
3-Benzyl-5-butyl-[1,3,5]thiadiazinane-2-thione
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| Structure |
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| Formula |
C14H20N2S2
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| Molecular Weight |
280.462
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| Canonical SMILES |
CCCCN1CSC(=S)N(Cc2ccccc2)C1
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| InChI |
InChI=1S/C14H20N2S2/c1-2-3-9-15-11-16(14(17)18-12-15)10-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
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| InChIKey |
GKODUQFGYOBNMB-UHFFFAOYSA-N
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| CAS |
21808-80-0
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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