General Information of the Compound
| Compound ID |
CP0478960
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| Compound Name |
4-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-yl)benzonitrile
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| Structure |
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| Formula |
C19H23N5S
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| Molecular Weight |
353.495
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C19H23N5S/c20-14-15-4-6-16(7-5-15)18-21-22-19(25-18)24-12-8-17(9-13-24)23-10-2-1-3-11-23/h4-7,17H,1-3,8-13H2
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| InChIKey |
PULDJJJISOKRAY-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