General Information of the Compound
| Compound ID |
CP0213640
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| Compound Name |
(E)-2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-ylsulfanylmethyl)-phenyl]-acrylamide
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| Structure |
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| Formula |
C17H15N3O3S
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| Molecular Weight |
341.392
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O
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| InChI |
InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+
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| InChIKey |
ALDCNHLMTCRENB-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