General Information of the Compound
| Compound ID |
CP0578966
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| Compound Name |
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C20H20N6O2S2
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| Molecular Weight |
440.554
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| Canonical SMILES |
CCCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nnc1-c1ccncc1
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| InChI |
InChI=1S/C20H20N6O2S2/c1-3-10-26-18(13-6-8-21-9-7-13)24-25-20(26)29-12-17(27)23-19-22-15-5-4-14(28-2)11-16(15)30-19/h4-9,11H,3,10,12H2,1-2H3,(H,22,23,27)
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| InChIKey |
JIUFLMSAFMXEEC-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