General Information of the Compound
| Compound ID |
CP0388700
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| Compound Name |
4-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]benzonitrile
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| Structure |
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| Formula |
C17H13N3S2
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| Molecular Weight |
323.446
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| Canonical SMILES |
CSc1cccc(Nc2nc(cs2)-c2ccc(cc2)C#N)c1
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| InChI |
InChI=1S/C17H13N3S2/c1-21-15-4-2-3-14(9-15)19-17-20-16(11-22-17)13-7-5-12(10-18)6-8-13/h2-9,11H,1H3,(H,19,20)
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| InChIKey |
KUZQESLETIJEPL-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