General Information of the Compound
| Compound ID |
CP0496791
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| Compound Name |
2-Phenyl-4-(3-phenyl-propylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
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| Structure |
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| Formula |
C24H21N5O
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| Molecular Weight |
395.466
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| Canonical SMILES |
O=c1n(nc2c(NCCCc3ccccc3)nc3ccccc3n12)-c1ccccc1
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| InChI |
InChI=1S/C24H21N5O/c30-24-28-21-16-8-7-15-20(21)26-22(25-17-9-12-18-10-3-1-4-11-18)23(28)27-29(24)19-13-5-2-6-14-19/h1-8,10-11,13-16H,9,12,17H2,(H,25,26)
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| InChIKey |
UXESUNGICYNFRJ-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