General Information of the Compound
| Compound ID |
CP0440894
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| Compound Name |
4-(benzhydrylsulfinylmethyl)-2-cyclopropyl-1,3-thiazole
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| Structure |
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| Formula |
C20H19NOS2
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| Molecular Weight |
353.512
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| Canonical SMILES |
[O-][S+](Cc1csc(n1)C1CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C20H19NOS2/c22-24(14-18-13-23-20(21-18)17-11-12-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13,17,19H,11-12,14H2
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| InChIKey |
USSBQUDPPUTTQY-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