General Information of the Compound
| Compound ID |
CP0557292
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| Compound Name |
5-[1-[7-(2,6-dimethylpyridin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl]ethyl]-2-methyl-1,3-benzothiazole
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| Structure |
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| Formula |
C24H30N4S
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| Molecular Weight |
406.599
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| Canonical SMILES |
CC(N1CCC2(CCN(C2)c2cc(C)nc(C)c2)C1)c1ccc2sc(C)nc2c1
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| InChI |
InChI=1S/C24H30N4S/c1-16-11-21(12-17(2)25-16)28-10-8-24(15-28)7-9-27(14-24)18(3)20-5-6-23-22(13-20)26-19(4)29-23/h5-6,11-13,18H,7-10,14-15H2,1-4H3
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| InChIKey |
ZQCGYMDLNUAQOS-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