General Information of the Compound
| Compound ID |
CP0073948
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| Compound Name |
5-[3-(6-cyclohexyloxypyridin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
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| Structure |
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| Formula |
C21H21N5OS
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| Molecular Weight |
391.5
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| Canonical SMILES |
Nc1nnc(s1)-c1ccc2[nH]cc(-c3cccc(OC4CCCCC4)n3)c2c1
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| InChI |
InChI=1S/C21H21N5OS/c22-21-26-25-20(28-21)13-9-10-17-15(11-13)16(12-23-17)18-7-4-8-19(24-18)27-14-5-2-1-3-6-14/h4,7-12,14,23H,1-3,5-6H2,(H2,22,26)
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| InChIKey |
FLZWGLJPTSJNPA-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