General Information of the Compound
| Compound ID |
CP0209391
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| Compound Name |
(4Z)-4-[(1-methyl-4-phenylmethoxyindol-3-yl)methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one
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| Structure |
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| Formula |
C23H18N4O2S
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| Molecular Weight |
414.49
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| Canonical SMILES |
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccccc3)cccc12
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| InChI |
InChI=1S/C23H18N4O2S/c1-27-13-16(12-17-21(25-26-22(17)28)23-24-10-11-30-23)20-18(27)8-5-9-19(20)29-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,26,28)/b17-12-
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| InChIKey |
GQYFVKYIQVGETG-ATVHPVEESA-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