General Information of the Compound
| Compound ID |
CP0438495
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| Compound Name |
4-(benzhydrylsulfinylmethyl)-2-propan-2-yl-1,3-thiazole
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| Structure |
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| Formula |
C20H21NOS2
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| Molecular Weight |
355.528
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| Canonical SMILES |
CC(C)c1nc(C[S+]([O-])C(c2ccccc2)c2ccccc2)cs1
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| InChI |
InChI=1S/C20H21NOS2/c1-15(2)20-21-18(13-23-20)14-24(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,15,19H,14H2,1-2H3
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| InChIKey |
OVVMBKIENZTDGC-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