General Information of the Compound
| Compound ID |
CP0494838
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| Compound Name |
2-(1,4'-bipiperidin-1'-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C20H28N4O2S
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| Molecular Weight |
388.537
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| Canonical SMILES |
COc1cc(OC)cc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C20H28N4O2S/c1-25-17-12-15(13-18(14-17)26-2)19-21-22-20(27-19)24-10-6-16(7-11-24)23-8-4-3-5-9-23/h12-14,16H,3-11H2,1-2H3
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| InChIKey |
OREPPBSXRWEVOL-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