General Information of the Compound
| Compound ID |
CP0445922
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| Compound Name |
4-tert-butyl-N-(1-ethylindol-4-yl)-1,3-thiazol-2-amine
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| Structure |
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| Formula |
C17H21N3S
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| Molecular Weight |
299.443
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| Canonical SMILES |
CCn1ccc2c(Nc3nc(cs3)C(C)(C)C)cccc12
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| InChI |
InChI=1S/C17H21N3S/c1-5-20-10-9-12-13(7-6-8-14(12)20)18-16-19-15(11-21-16)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19)
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| InChIKey |
STHBTOKYEZJTEH-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