General Information of the Compound
| Compound ID |
CP0544801
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| Compound Name |
3-[4-(cyclohexylmethyl)piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H32N4OS
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| Molecular Weight |
400.592
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| Canonical SMILES |
Cc1cccc2sc(NC(=O)CCN3CCN(CC4CCCCC4)CC3)nc12
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| InChI |
InChI=1S/C22H32N4OS/c1-17-6-5-9-19-21(17)24-22(28-19)23-20(27)10-11-25-12-14-26(15-13-25)16-18-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8,10-16H2,1H3,(H,23,24,27)
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| InChIKey |
TUKXXYVPWUSZAM-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