General Information of the Compound
| Compound ID |
CP0544802
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| Compound Name |
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanamide
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| Structure |
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| Formula |
C21H31N5OS
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| Molecular Weight |
401.58
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| Canonical SMILES |
CN1CCC(CC1)N1CCN(CCC(=O)Nc2nc3c(C)cccc3s2)CC1
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| InChI |
InChI=1S/C21H31N5OS/c1-16-4-3-5-18-20(16)23-21(28-18)22-19(27)8-11-25-12-14-26(15-13-25)17-6-9-24(2)10-7-17/h3-5,17H,6-15H2,1-2H3,(H,22,23,27)
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| InChIKey |
AQTMZCRUEMQFRJ-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