General Information of the Compound
| Compound ID |
CP0426531
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| Compound Name |
2-[4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]azepan-1-yl]-4-methyl-1,3-thiazole
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| Structure |
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| Formula |
C21H30N4OS
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| Molecular Weight |
386.565
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| Canonical SMILES |
COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1nc(C)cs1
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| InChI |
InChI=1S/C21H30N4OS/c1-16-15-27-21(23-16)25-11-4-5-18(9-14-25)24-12-7-17(8-13-24)20-19(26-2)6-3-10-22-20/h3,6,10,15,17-18H,4-5,7-9,11-14H2,1-2H3
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| InChIKey |
RPDZPTKQBNFHOT-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