General Information of the Compound
| Compound ID |
CP0544799
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| Compound Name |
3-(4-butylpiperazin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C19H28N4OS
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| Molecular Weight |
360.527
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| Canonical SMILES |
CCCCN1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
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| InChI |
InChI=1S/C19H28N4OS/c1-3-4-9-22-11-13-23(14-12-22)10-8-17(24)20-19-21-18-15(2)6-5-7-16(18)25-19/h5-7H,3-4,8-14H2,1-2H3,(H,20,21,24)
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| InChIKey |
AXNBPJBIFWNNOJ-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