General Information of the Compound
| Compound ID |
CP0396749
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| Compound Name |
2-(benzhydrylsulfinylmethyl)-4,5-dimethyl-1,3-thiazole
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| Structure |
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| Formula |
C19H19NOS2
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| Molecular Weight |
341.501
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| Canonical SMILES |
Cc1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)sc1C
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| InChI |
InChI=1S/C19H19NOS2/c1-14-15(2)22-18(20-14)13-23(21)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,13H2,1-2H3
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| InChIKey |
WKJBSLQERYBVME-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