General Information of the Compound
| Compound ID |
CP0497612
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| Compound Name |
N-[5-[2-(5-chloro-2-methoxyanilino)-5-[4-(hydroxymethyl)triazol-1-yl]-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 |
C22H24ClN7O3S2
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| Molecular Weight |
534.067
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)c(s1)-n1cc(CO)nn1
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| InChI |
InChI=1S/C22H24ClN7O3S2/c1-11-17(34-20(24-11)27-19(32)22(2,3)4)16-18(30-9-13(10-31)28-29-30)35-21(26-16)25-14-8-12(23)6-7-15(14)33-5/h6-9,31H,10H2,1-5H3,(H,25,26)(H,24,27,32)
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| InChIKey |
ZFJZGVIWQWDMAS-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