General Information of the Compound
| Compound ID |
CP0711381
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| Compound Name |
2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-benzoic acid
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| Structure |
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| Formula |
C15H11NO8S
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| Molecular Weight |
365.319
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| Canonical SMILES |
O=C(O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1O
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| InChI |
InChI=1S/C15H11NO8S/c17-14-9-12(5-6-13(14)15(18)19)25(22,23)24-11-3-1-10(2-4-11)7-8-16(20)21/h1-9,17H,(H,18,19)/b8-7+
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| InChIKey |
MWDCVVUQLSYYPR-BQYQJAHWSA-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