General Information of the Compound
| Compound ID |
CP0850857
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| Compound Name |
SID26753106
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| Structure |
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| Formula |
C7H6N2O5
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| Molecular Weight |
198.134
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| Canonical SMILES |
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
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| InChI |
InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
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| InChIKey |
ZXVONLUNISGICL-UHFFFAOYSA-N
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| CAS |
53240-95-2
8068-73-3
8071-51-0
534-52-1
37359-43-6
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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