General Information of the Compound
| Compound ID |
CP0041373
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| Compound Name |
(E)-2-Cyano-3-[3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-acrylamide
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| Structure |
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| Formula |
C15H15N3O3S2
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| Molecular Weight |
349.437
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSC2=NCCS2)c1O
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| InChI |
InChI=1S/C15H15N3O3S2/c1-21-12-6-9(4-10(7-16)14(17)20)5-11(13(12)19)8-23-15-18-2-3-22-15/h4-6,19H,2-3,8H2,1H3,(H2,17,20)/b10-4+
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| InChIKey |
AEZUIGRHDSRYGK-ONNFQVAWSA-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