General Information of the Compound
| Compound ID |
CP0217702
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| Compound Name |
(E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
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| Structure |
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| Formula |
C20H19N3O4S
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| Molecular Weight |
397.456
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O
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| InChI |
InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+
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| InChIKey |
LGSDRHSXDZDRLH-VGOFMYFVSA-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