General Information of the Compound
| Compound ID |
CP0213639
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| Compound Name |
(E)-3-[3-(5-Chloro-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide
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| Structure |
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| Formula |
C19H14ClN3O3S2
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| Molecular Weight |
431.926
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| Canonical SMILES |
COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3cc(Cl)ccc3s2)c1O
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| InChI |
InChI=1S/C19H14ClN3O3S2/c1-26-15-6-10(4-11(8-21)18(22)25)5-12(17(15)24)9-27-19-23-14-7-13(20)2-3-16(14)28-19/h2-7,24H,9H2,1H3,(H2,22,25)/b11-4+
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| InChIKey |
GGFWNDJYHSAUAY-NYYWCZLTSA-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