General Information of the Compound
| Compound ID |
CP0389007
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| Compound Name |
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C18H16FN7O2S
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| Molecular Weight |
413.438
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| Canonical SMILES |
Cc1nc(sc1C(=O)NCc1cc[nH]n1)-n1cnn(Cc2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C18H16FN7O2S/c1-11-15(16(27)20-8-14-6-7-21-24-14)29-17(23-11)25-10-22-26(18(25)28)9-12-2-4-13(19)5-3-12/h2-7,10H,8-9H2,1H3,(H,20,27)(H,21,24)
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| InChIKey |
YQQDINFODVIWMR-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