General Information of the Compound
| Compound ID |
CP0467740
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| Compound Name |
ethyl 5-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]pentanoate
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| Structure |
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| Formula |
C15H23N3O3S
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| Molecular Weight |
325.434
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| Canonical SMILES |
CCOC(=O)CCCCOc1nsnc1C1=CCCN(C)C1
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| InChI |
InChI=1S/C15H23N3O3S/c1-3-20-13(19)8-4-5-10-21-15-14(16-22-17-15)12-7-6-9-18(2)11-12/h7H,3-6,8-11H2,1-2H3
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| InChIKey |
YLZCXSYWCUFWTG-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