General Information of the Compound
| Compound ID |
CP0560395
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| Compound Name |
3-(2,1,3-benzoxadiazol-5-yl)-1-benzylquinoxalin-2-one
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| Structure |
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| Formula |
C21H14N4O2
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| Molecular Weight |
354.369
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| Canonical SMILES |
O=c1c(nc2ccccc2n1Cc1ccccc1)-c1ccc2nonc2c1
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| InChI |
InChI=1S/C21H14N4O2/c26-21-20(15-10-11-16-18(12-15)24-27-23-16)22-17-8-4-5-9-19(17)25(21)13-14-6-2-1-3-7-14/h1-12H,13H2
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| InChIKey |
AONZDBAHWUYXHT-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