General Information of the Compound
| Compound ID |
CP0463246
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| Compound Name |
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C18H15FN6O3S
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| Molecular Weight |
414.422
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cocn1)-n1cnn(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C18H15FN6O3S/c1-11-15(16(26)20-6-14-8-28-10-21-14)29-17(23-11)24-9-22-25(18(24)27)7-12-2-4-13(19)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,20,26)
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| InChIKey |
BUNQINGTAZCYJO-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