General Information of the Compound
| Compound ID |
CP0438490
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| Compound Name |
4-(benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole
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| Structure |
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| Formula |
C21H17NOS3
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| Molecular Weight |
395.574
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| Canonical SMILES |
[O-][S+](Cc1csc(n1)-c1cccs1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C21H17NOS3/c23-26(15-18-14-25-21(22-18)19-12-7-13-24-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2
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| InChIKey |
LDQJQKBMDWDTEY-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