General Information of the Compound
| Compound ID |
CP0477494
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| Compound Name |
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H17FN4O2S
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| Molecular Weight |
444.491
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| Canonical SMILES |
COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc2ccc(F)cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C24H17FN4O2S/c1-31-18-10-7-15(8-11-18)22-19(14-29(28-22)17-5-3-2-4-6-17)23(30)27-24-26-20-12-9-16(25)13-21(20)32-24/h2-14H,1H3,(H,26,27,30)
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| InChIKey |
AJOGVWDWLQQQOQ-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