General Information of the Compound
| Compound ID |
CP0445795
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| Compound Name |
N-[5-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C14H20N4O2S2
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| Molecular Weight |
340.474
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(NCCO)n1
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| InChI |
InChI=1S/C14H20N4O2S2/c1-8-10(9-7-21-12(17-9)15-5-6-19)22-13(16-8)18-11(20)14(2,3)4/h7,19H,5-6H2,1-4H3,(H,15,17)(H,16,18,20)
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| InChIKey |
JCRJFYZSIFGDIG-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