General Information of the Compound
| Compound ID |
CP0406092
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| Compound Name |
3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-methylpropane-1-amine
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| Structure |
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| Formula |
C17H25N3S
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| Molecular Weight |
303.475
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| Canonical SMILES |
CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1
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| InChI |
InChI=1S/C17H25N3S/c1-17(2,3)14-5-7-15(8-6-14)21-11-13(9-18-4)16-10-19-12-20-16/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,19,20)
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| InChIKey |
CIHOROYSJCZFIG-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