General Information of the Compound
| Compound ID |
CP0463446
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| Compound Name |
(4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
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| Structure |
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| Formula |
C16H11N3O2S
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| Molecular Weight |
309.35
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| Canonical SMILES |
Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
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| InChI |
InChI=1S/C16H11N3O2S/c20-9-5-6-10(13(21)7-9)15-11(8-17-19-15)16-18-12-3-1-2-4-14(12)22-16/h1-8,20-21H,(H,17,19)
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| InChIKey |
KUEDPQPSINBLKI-UHFFFAOYSA-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