General Information of the Compound
| Compound ID |
CP0534156
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| Compound Name |
4-(benzhydrylsulfinylmethyl)-2-butyl-1,3-thiazole
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| Structure |
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| Formula |
C21H23NOS2
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| Molecular Weight |
369.555
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| Canonical SMILES |
CCCCc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
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| InChI |
InChI=1S/C21H23NOS2/c1-2-3-14-20-22-19(15-24-20)16-25(23)21(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15,21H,2-3,14,16H2,1H3
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| InChIKey |
AHEMKXYEYXFPND-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