General Information of the Compound
| Compound ID |
CP0693800
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| Compound Name |
SID26727178
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| Structure |
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| Formula |
C14H14N4O4
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| Molecular Weight |
302.29
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| Canonical SMILES |
COc1cccc(/C=N/Nc2ncccc2[N+](=O)[O-])c1OC
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| InChI |
InChI=1S/C14H14N4O4/c1-21-12-7-3-5-10(13(12)22-2)9-16-17-14-11(18(19)20)6-4-8-15-14/h3-9H,1-2H3,(H,15,17)/b16-9+
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| InChIKey |
GRCYQIMUVPKNDJ-CXUHLZMHSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1