General Information of the Compound
| Compound ID |
CP0504280
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| Compound Name |
2-(1-(2-fluoro-5-(1H-pyrazol-4-yl)benzyl)-1H-indol-3-ylsulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C24H20FN5O4S
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| Molecular Weight |
493.52
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(ccc3F)-c3cn[nH]c3)c3ccccc23)no1
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| InChI |
InChI=1S/C24H20FN5O4S/c1-15-8-23(29-34-15)28-24(31)14-35(32,33)22-13-30(21-5-3-2-4-19(21)22)12-17-9-16(6-7-20(17)25)18-10-26-27-11-18/h2-11,13H,12,14H2,1H3,(H,26,27)(H,28,29,31)
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| InChIKey |
XHTPUYOHYTYGGA-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