General Information of the Compound
| Compound ID |
CP0210307
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| Compound Name |
2-Cyano-3-[4-hydroxy-3-methoxy-5-(naphthalen-2-ylsulfanylmethyl)-phenyl]-acrylamide
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| Structure |
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| Formula |
C22H18N2O3S
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| Molecular Weight |
390.464
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc3ccccc3c2)c1O
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| InChI |
InChI=1S/C22H18N2O3S/c1-27-20-10-14(8-17(12-23)22(24)26)9-18(21(20)25)13-28-19-7-6-15-4-2-3-5-16(15)11-19/h2-11,25H,13H2,1H3,(H2,24,26)/b17-8+
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| InChIKey |
PWAFUGMDLMAVBQ-CAOOACKPSA-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