General Information of the Compound
| Compound ID |
CP0716035
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| Compound Name |
3-(4-tert-Butylphenyl)-2-phenylquinoxaline-6-carboxylic acid
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| Structure |
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| Formula |
C25H22N2O2
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| Molecular Weight |
382.463
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| Canonical SMILES |
CC(C)(C)c1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22N2O2/c1-25(2,3)19-12-9-17(10-13-19)23-22(16-7-5-4-6-8-16)26-20-14-11-18(24(28)29)15-21(20)27-23/h4-15H,1-3H3,(H,28,29)
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| InChIKey |
SNIAHSIXGCVNJS-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