General Information of the Compound
| Compound ID |
CP0379948
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| Compound Name |
1-(4-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-yl)phenyl)ethanone
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| Structure |
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| Formula |
C20H26N4OS
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| Molecular Weight |
370.522
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| Canonical SMILES |
CC(=O)c1ccc(cc1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C20H26N4OS/c1-15(25)16-5-7-17(8-6-16)19-21-22-20(26-19)24-13-9-18(10-14-24)23-11-3-2-4-12-23/h5-8,18H,2-4,9-14H2,1H3
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| InChIKey |
DGBSDVLLPRGLHU-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