General Information of the Compound
| Compound ID |
CP0258001
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| Compound Name |
N,N-dimethyl-4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C22H21N5O3S
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| Molecular Weight |
435.509
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| Canonical SMILES |
CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C22H21N5O3S/c1-26(2)21(28)16-6-10-17(11-7-16)23-22-24-20-19(5-4-14-27(20)25-22)15-8-12-18(13-9-15)31(3,29)30/h4-14H,1-3H3,(H,23,25)
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| InChIKey |
HVEMOANMBXRPOK-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