General Information of the Compound
| Compound ID |
CP0445794
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| Compound Name |
N-[5-[2-[3-acetyl-N-(2-hydroxyethyl)anilino]-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 |
C22H26N4O3S2
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| Molecular Weight |
458.609
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| Canonical SMILES |
CC(=O)c1cccc(c1)N(CCO)c1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C
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| InChI |
InChI=1S/C22H26N4O3S2/c1-13-18(31-20(23-13)25-19(29)22(3,4)5)17-12-30-21(24-17)26(9-10-27)16-8-6-7-15(11-16)14(2)28/h6-8,11-12,27H,9-10H2,1-5H3,(H,23,25,29)
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| InChIKey |
KHNUPLUQJFLSLN-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