General Information of the Compound
| Compound ID |
CP0445796
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| Compound Name |
N-[5-[2-[cyclohexyl(2-hydroxyethyl)amino]-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 |
C20H30N4O2S2
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| Molecular Weight |
422.62
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| Canonical SMILES |
Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(n1)N(CCO)C1CCCCC1
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| InChI |
InChI=1S/C20H30N4O2S2/c1-13-16(28-18(21-13)23-17(26)20(2,3)4)15-12-27-19(22-15)24(10-11-25)14-8-6-5-7-9-14/h12,14,25H,5-11H2,1-4H3,(H,21,23,26)
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| InChIKey |
CCUBJOCYQZTYNE-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