General Information of the Compound
| Compound ID |
CP0576824
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| Compound Name |
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide
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| Structure |
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| Formula |
C22H26N4OS
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| Molecular Weight |
394.544
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| Canonical SMILES |
Cc1ccccc1N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
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| InChI |
InChI=1S/C22H26N4OS/c1-16-6-3-4-8-18(16)26-14-12-25(13-15-26)11-10-20(27)23-22-24-21-17(2)7-5-9-19(21)28-22/h3-9H,10-15H2,1-2H3,(H,23,24,27)
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| InChIKey |
CZYWSXAIWGJPTD-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