General Information of the Compound
| Compound ID |
CP0562817
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| Compound Name |
1-(naphthalen-2-ylmethyl)-3-(3-nitrophenyl)quinoxalin-2-one
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| Structure |
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| Formula |
C25H17N3O3
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| Molecular Weight |
407.429
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2ccc3ccccc3c2)c1=O
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| InChI |
InChI=1S/C25H17N3O3/c29-25-24(20-8-5-9-21(15-20)28(30)31)26-22-10-3-4-11-23(22)27(25)16-17-12-13-18-6-1-2-7-19(18)14-17/h1-15H,16H2
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| InChIKey |
UNELOQPSWGBUNE-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