General Information of the Compound
| Compound ID |
CP0378242
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| Compound Name |
2-[4,6-bis(fluoranyl)-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]indol-3-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide
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| Structure |
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| Formula |
C24H19F2N5O4S
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| Molecular Weight |
511.51
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3cn[nH]c3)c3cc(F)cc(F)c23)no1
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| InChI |
InChI=1S/C24H19F2N5O4S/c1-14-5-22(30-35-14)29-23(32)13-36(33,34)21-12-31(20-8-18(25)7-19(26)24(20)21)11-15-3-2-4-16(6-15)17-9-27-28-10-17/h2-10,12H,11,13H2,1H3,(H,27,28)(H,29,30,32)
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| InChIKey |
LGRJKOKKWLFIHT-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