General Information of the Compound
| Compound ID |
CP0515142
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| Compound Name |
4-chloro-N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
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| Structure |
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| Formula |
C22H19ClN4O3S2
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| Molecular Weight |
487.006
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| Canonical SMILES |
COc1ccc(OC)c(Nc2nc(cs2)-c2sc(NC(=O)c3ccc(Cl)cc3)nc2C)c1
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| InChI |
InChI=1S/C22H19ClN4O3S2/c1-12-19(32-22(24-12)27-20(28)13-4-6-14(23)7-5-13)17-11-31-21(26-17)25-16-10-15(29-2)8-9-18(16)30-3/h4-11H,1-3H3,(H,25,26)(H,24,27,28)
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| InChIKey |
NFXFFYRHWBKSCZ-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