General Information of the Compound
| Compound ID |
CP0378745
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| Compound Name |
3-(3-nitrophenyl)-1-(thiophen-2-ylmethyl)quinoxalin-2-one
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| Structure |
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| Formula |
C19H13N3O3S
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| Molecular Weight |
363.398
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1nc2ccccc2n(Cc2cccs2)c1=O
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| InChI |
InChI=1S/C19H13N3O3S/c23-19-18(13-5-3-6-14(11-13)22(24)25)20-16-8-1-2-9-17(16)21(19)12-15-7-4-10-26-15/h1-11H,12H2
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| InChIKey |
OLXYVGUWYKLFSS-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