General Information of the Compound
| Compound ID |
CP0413097
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| Compound Name |
3-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-yl)-5-methoxybenzonitrile
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| Structure |
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| Formula |
C20H25N5OS
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| Molecular Weight |
383.521
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| Canonical SMILES |
COc1cc(cc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1)C#N
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| InChI |
InChI=1S/C20H25N5OS/c1-26-18-12-15(14-21)11-16(13-18)19-22-23-20(27-19)25-9-5-17(6-10-25)24-7-3-2-4-8-24/h11-13,17H,2-10H2,1H3
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| InChIKey |
UXPFKVWGFWHHFQ-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