General Information of the Compound
| Compound ID |
CP0416209
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| Compound Name |
5-[4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]azepan-1-yl]-1,2,4-thiadiazole
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| Structure |
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| Formula |
C19H27N5OS
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| Molecular Weight |
373.526
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| Canonical SMILES |
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1ncns1
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| InChI |
InChI=1S/C19H27N5OS/c1-25-17-5-2-9-20-18(17)15-6-11-23(12-7-15)16-4-3-10-24(13-8-16)19-21-14-22-26-19/h2,5,9,14-16H,3-4,6-8,10-13H2,1H3
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| InChIKey |
YOARLQVFXZCGDZ-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