General Information of the Compound
| Compound ID |
CP0255802
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| Compound Name |
2-tert-butyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
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| Structure |
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| Formula |
C18H26N4S
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| Molecular Weight |
330.501
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| Canonical SMILES |
CC(C)(C)c1nc(CN2CCN(Cc3ccccn3)CC2)cs1
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| InChI |
InChI=1S/C18H26N4S/c1-18(2,3)17-20-16(14-23-17)13-22-10-8-21(9-11-22)12-15-6-4-5-7-19-15/h4-7,14H,8-13H2,1-3H3
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| InChIKey |
IWGYSGOGENBEPJ-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