General Information of the Compound
| Compound ID |
CP0853788
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| Compound Name |
2-[2-(2-{2-[4-(1-Methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-[1,2,5]thiadiazol-3-yloxy]-ethoxy}-ethoxy)-ethoxy]-ethanol hydrochloride
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| Structure |
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| Formula |
C16H28ClN3O5S
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| Molecular Weight |
409.936
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| Canonical SMILES |
CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1.Cl
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| InChI |
InChI=1S/C16H27N3O5S.ClH/c1-19-4-2-3-14(13-19)15-16(18-25-17-15)24-12-11-23-10-9-22-8-7-21-6-5-20;/h3,20H,2,4-13H2,1H3;1H
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| InChIKey |
ASRHWSTTYDTPRV-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