General Information of the Compound
| Compound ID |
CP0109994
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| Compound Name |
8-methylsulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C16H15N3OS2
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| Molecular Weight |
329.45
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| Canonical SMILES |
CSc1cccc2cc(cnc12)C(=O)NCCc1nccs1
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| InChI |
InChI=1S/C16H15N3OS2/c1-21-13-4-2-3-11-9-12(10-19-15(11)13)16(20)18-6-5-14-17-7-8-22-14/h2-4,7-10H,5-6H2,1H3,(H,18,20)
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| InChIKey |
CXOUBSQVKSFXEB-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