General Information of the Compound
| Compound ID |
CP0381455
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| Compound Name |
2-(2-(Methylthio)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-(2-(pyrrolidin-1-yl)ethoxy)benzo[d]oxazole
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| Structure |
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| Formula |
C18H19N5O2S2
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| Molecular Weight |
401.517
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1nc2ccc(OCCN3CCCC3)cc2o1
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| InChI |
InChI=1S/C18H19N5O2S2/c1-26-18-21-23-11-14(20-17(23)27-18)16-19-13-5-4-12(10-15(13)25-16)24-9-8-22-6-2-3-7-22/h4-5,10-11H,2-3,6-9H2,1H3
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| InChIKey |
VKQUHNNIUYDEJB-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