General Information of the Compound
| Compound ID |
CP0459581
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| Compound Name |
2-(1-(2-fluoro-3-(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(Cc3cccc(-c4cn[nH]c4)c3F)c3ccccc23)no1
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| InChI |
InChI=1S/C24H20FN5O4S/c1-15-9-22(29-34-15)28-23(31)14-35(32,33)21-13-30(20-8-3-2-6-19(20)21)12-16-5-4-7-18(24(16)25)17-10-26-27-11-17/h2-11,13H,12,14H2,1H3,(H,26,27)(H,28,29,31)
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| InChIKey |
TWEUJZGNUBCVFU-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