General Information of the Compound
| Compound ID |
CP0494842
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| Compound Name |
2-isoquinolin-5-yl-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C21H25N5S
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| Molecular Weight |
379.533
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| Canonical SMILES |
C1CCN(CC1)C1CCN(CC1)c1nnc(s1)-c1cccc2cnccc12
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| InChI |
InChI=1S/C21H25N5S/c1-2-11-25(12-3-1)17-8-13-26(14-9-17)21-24-23-20(27-21)19-6-4-5-16-15-22-10-7-18(16)19/h4-7,10,15,17H,1-3,8-9,11-14H2
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| InChIKey |
ZQKNCXGFXAJLKM-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