General Information of the Compound
| Compound ID |
CP0139619
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| Compound Name |
2-(1,3-benzothiazol-2-yl)-1-[2-[[4-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
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| Structure |
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| Formula |
C27H33N3O2S
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| Molecular Weight |
463.647
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| Canonical SMILES |
CC(C)COc1ccc(CN2CC3(C2)CCN(CC3)C(=O)Cc2nc3ccccc3s2)cc1
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| InChI |
InChI=1S/C27H33N3O2S/c1-20(2)17-32-22-9-7-21(8-10-22)16-29-18-27(19-29)11-13-30(14-12-27)26(31)15-25-28-23-5-3-4-6-24(23)33-25/h3-10,20H,11-19H2,1-2H3
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| InChIKey |
STFHTGMPYZSCNN-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