General Information of the Compound
| Compound ID |
CP0558689
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| Compound Name |
4-[2-[[3-(dimethylamino)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C21H23N3OS
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| Molecular Weight |
365.502
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| Canonical SMILES |
CN(C)c1cccc(Cc2nc(C)c(s2)-c2ccc(C(N)=O)c(C)c2)c1
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| InChI |
InChI=1S/C21H23N3OS/c1-13-10-16(8-9-18(13)21(22)25)20-14(2)23-19(26-20)12-15-6-5-7-17(11-15)24(3)4/h5-11H,12H2,1-4H3,(H2,22,25)
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| InChIKey |
CYFLUBIPEWFQHS-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