General Information of the Compound
| Compound ID |
CP0464144
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| Compound Name |
4-(2,2-Diphenyl-ethylamino)-2-phenyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
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| Structure |
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| Formula |
C29H23N5O
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| Molecular Weight |
457.537
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| Canonical SMILES |
O=c1n(nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12)-c1ccccc1
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| InChI |
InChI=1S/C29H23N5O/c35-29-33-26-19-11-10-18-25(26)31-27(28(33)32-34(29)23-16-8-3-9-17-23)30-20-24(21-12-4-1-5-13-21)22-14-6-2-7-15-22/h1-19,24H,20H2,(H,30,31)
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| InChIKey |
DGGBTTQRSUZHEO-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