General Information of the Compound
| Compound ID |
CP0535930
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| Compound Name |
4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]butan-1-ol
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| Structure |
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| Formula |
C12H19N3O2S
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| Molecular Weight |
269.37
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1OCCCCO
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| InChI |
InChI=1S/C12H19N3O2S/c1-15-6-4-5-10(9-15)11-12(14-18-13-11)17-8-3-2-7-16/h5,16H,2-4,6-9H2,1H3
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| InChIKey |
CYEGUIQJLAFDDY-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