General Information of the Compound
| Compound ID |
CP0357340
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| Compound Name |
5-[2-(2,3-Dimethyl-phenylamino)-phenyl]-3H-[1,3,4]oxadiazole-2-thione
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| Structure |
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| Formula |
C16H15N3OS
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| Molecular Weight |
297.383
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| Canonical SMILES |
Cc1cccc(Nc2ccccc2-c2nnc(S)o2)c1C
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| InChI |
InChI=1S/C16H15N3OS/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15-18-19-16(21)20-15/h3-9,17H,1-2H3,(H,19,21)
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| InChIKey |
XWLIMSFWPMRBPE-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