General Information of the Compound
| Compound ID |
CP0496745
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| Compound Name |
2-(1,4'-bipiperidin-1'-yl)-5-(2-chlorophenyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C18H23ClN4S
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| Molecular Weight |
362.93
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| Canonical SMILES |
Clc1ccccc1-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C18H23ClN4S/c19-16-7-3-2-6-15(16)17-20-21-18(24-17)23-12-8-14(9-13-23)22-10-4-1-5-11-22/h2-3,6-7,14H,1,4-5,8-13H2
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| InChIKey |
KDMRMQQGRFCUEH-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