General Information of the Compound
| Compound ID |
CP0759105
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| Compound Name |
SID49680532
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| Structure |
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| Formula |
C16H16N2O5
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| Molecular Weight |
316.313
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| Canonical SMILES |
CCOc1ccc(C(C)=O)cc1COc1cccnc1[N+](=O)[O-]
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| InChI |
InChI=1S/C16H16N2O5/c1-3-22-14-7-6-12(11(2)19)9-13(14)10-23-15-5-4-8-17-16(15)18(20)21/h4-9H,3,10H2,1-2H3
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| InChIKey |
TYPSIMRPMRVMTK-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1