General Information of the Compound
| Compound ID |
CP0076902
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| Compound Name |
2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-methoxy-benzylsulfanyl]-benzoic acid anion
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| Structure |
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| Formula |
C19H16N2O5S
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| Molecular Weight |
384.413
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O
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| InChI |
InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+
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| InChIKey |
HHSJLHLCRVVXSC-WUXMJOGZSA-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