General Information of the Compound
| Compound ID |
CP0571059
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| Compound Name |
3-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Formula |
C17H24N4OS
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| Molecular Weight |
332.473
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| Canonical SMILES |
CCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
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| InChI |
InChI=1S/C17H24N4OS/c1-3-20-9-11-21(12-10-20)8-7-15(22)18-17-19-16-13(2)5-4-6-14(16)23-17/h4-6H,3,7-12H2,1-2H3,(H,18,19,22)
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| InChIKey |
XYUYDYYDXPHTQU-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