General Information of the Compound
| Compound ID |
CP0538137
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| Compound Name |
6-(1-methylpyrazol-4-yl)-3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C18H15N7S
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| Molecular Weight |
361.434
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| Canonical SMILES |
CC(c1nnc2sc(nn12)-c1cnn(C)c1)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C18H15N7S/c1-11(12-5-6-15-13(8-12)4-3-7-19-15)16-21-22-18-25(16)23-17(26-18)14-9-20-24(2)10-14/h3-11H,1-2H3
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| InChIKey |
AMVSPCWTSDZDPI-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