General Information of the Compound
| Compound ID |
CP0466087
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| Compound Name |
2-(1,4'-bipiperidin-1'-yl)-5-(1H-pyrazol-4-yl)-1,3,4-thiadiazole
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| Structure |
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| Formula |
C15H22N6S
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| Molecular Weight |
318.45
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| Canonical SMILES |
C1CCN(CC1)C1CCN(CC1)c1nnc(s1)-c1cn[nH]c1
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| InChI |
InChI=1S/C15H22N6S/c1-2-6-20(7-3-1)13-4-8-21(9-5-13)15-19-18-14(22-15)12-10-16-17-11-12/h10-11,13H,1-9H2,(H,16,17)
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| InChIKey |
RPCFJVPSSRRMRE-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