General Information of the Compound
| Compound ID |
CP0453234
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| Compound Name |
1-Methyl-5-[4-(4-phenyl-butoxy)-[1,2,5]thiadiazol-3-yl]-1,2,3,6-tetrahydro-pyridine
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| Structure |
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| Formula |
C18H23N3OS
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| Molecular Weight |
329.469
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| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1OCCCCc1ccccc1
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| InChI |
InChI=1S/C18H23N3OS/c1-21-12-7-11-16(14-21)17-18(20-23-19-17)22-13-6-5-10-15-8-3-2-4-9-15/h2-4,8-9,11H,5-7,10,12-14H2,1H3
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| InChIKey |
YFVWMZPXLOIKJK-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