General Information of the Compound
| Compound ID |
CP0522244
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| Compound Name |
3,4,5-trimethoxy-N-[[4-methyl-3-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
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| Structure |
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| Formula |
C25H25N3O5S
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| Molecular Weight |
479.558
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C25H25N3O5S/c1-15-10-11-18(14-19(15)24(30)26-17-8-6-5-7-9-17)27-25(34)28-23(29)16-12-20(31-2)22(33-4)21(13-16)32-3/h5-14H,1-4H3,(H,26,30)(H2,27,28,29,34)
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| InChIKey |
WKQVFBAJWKTIBM-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