General Information of the Compound
| Compound ID |
CP0305290
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| Compound Name |
3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4,5-dihydroxy-phenyl]-2-cyano-acrylamide
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| Structure |
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| Formula |
C18H13N3O3S2
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| Molecular Weight |
383.454
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| Canonical SMILES |
NC(=O)C(=C\c1cc(O)c(O)c(CSc2nc3ccccc3s2)c1)\C#N
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| InChI |
InChI=1S/C18H13N3O3S2/c19-8-11(17(20)24)5-10-6-12(16(23)14(22)7-10)9-25-18-21-13-3-1-2-4-15(13)26-18/h1-7,22-23H,9H2,(H2,20,24)/b11-5+
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| InChIKey |
YKKHGAQJLNLGMM-VZUCSPMQSA-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