General Information of the Compound
| Compound ID |
CP0435988
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| Compound Name |
2-(4-piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-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)-c1cccc2cccnc12
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| InChI |
InChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
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| InChIKey |
XZVMPANJGAEMPG-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