General Information of the Compound
| Compound ID |
CP0378247
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| Compound Name |
2-(1-(3-(1-methyl-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 |
C25H23N5O4S
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| Molecular Weight |
489.557
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3cnn(C)c3)c3ccccc23)no1
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| InChI |
InChI=1S/C25H23N5O4S/c1-17-10-24(28-34-17)27-25(31)16-35(32,33)23-15-30(22-9-4-3-8-21(22)23)13-18-6-5-7-19(11-18)20-12-26-29(2)14-20/h3-12,14-15H,13,16H2,1-2H3,(H,27,28,31)
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| InChIKey |
TZIKFMKFKQMKDH-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