General Information of the Compound
| Compound ID |
CP0363514
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| Compound Name |
4-[4-(2-Nitro-vinyl)-phenoxysulfonyl]-benzoic acid methyl ester
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| Structure |
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| Formula |
C16H13NO7S
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| Molecular Weight |
363.347
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| Canonical SMILES |
COC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C16H13NO7S/c1-23-16(18)13-4-8-15(9-5-13)25(21,22)24-14-6-2-12(3-7-14)10-11-17(19)20/h2-11H,1H3/b11-10+
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| InChIKey |
XLJNWAWRWXOCLS-ZHACJKMWSA-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