General Information of the Compound
| Compound ID |
CP0223347
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| Compound Name |
2-[5-(2,2-Dicyano-vinyl)-2-hydroxy-3-methoxy-benzylsulfanyl]-benzoic acid
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| Structure |
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| Formula |
C19H14N2O4S
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| Molecular Weight |
366.398
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| Canonical SMILES |
COc1cc(C=C(C#N)C#N)cc(CSc2ccccc2C(O)=O)c1O
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| InChI |
InChI=1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,11H2,1H3,(H,23,24)
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| InChIKey |
BSYPGOABDXSGOL-UHFFFAOYSA-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