General Information of the Compound
| Compound ID |
CP0398476
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| Compound Name |
4-methyl-2-[5-oxo-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C19H15F3N6O3S
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| Molecular Weight |
464.429
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cccnc1)-n1cnn(Cc2ccc(o2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C19H15F3N6O3S/c1-11-15(16(29)24-8-12-3-2-6-23-7-12)32-17(26-11)27-10-25-28(18(27)30)9-13-4-5-14(31-13)19(20,21)22/h2-7,10H,8-9H2,1H3,(H,24,29)
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| InChIKey |
LPAJOYDKNFPBIJ-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