General Information of the Compound
| Compound ID |
CP0924109
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| Compound Name |
2-(7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylthio)-N-o-tolylbutanamide
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| Structure |
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| Formula |
C24H25N5O2S
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| Molecular Weight |
447.564
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| Canonical SMILES |
CCC(Sc1nnc2c(=O)n(-c3ccc(C)c(C)c3)ccn12)C(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C24H25N5O2S/c1-5-20(22(30)25-19-9-7-6-8-16(19)3)32-24-27-26-21-23(31)28(12-13-29(21)24)18-11-10-15(2)17(4)14-18/h6-14,20H,5H2,1-4H3,(H,25,30)
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| InChIKey |
DCTRKDOVNXMFIE-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