General Information of the Compound
| Compound ID |
CP0081119
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| Compound Name |
(4Z)-4-[[4-[(2-fluorophenyl)methoxy]-1-methylindol-3-yl]methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one
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| Structure |
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| Formula |
C23H17FN4O2S
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| Molecular Weight |
432.48
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| Canonical SMILES |
Cn1cc(\C=C2/C(=O)NN=C2c2nccs2)c2c(OCc3ccccc3F)cccc12
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| InChI |
InChI=1S/C23H17FN4O2S/c1-28-12-15(11-16-21(26-27-22(16)29)23-25-9-10-31-23)20-18(28)7-4-8-19(20)30-13-14-5-2-3-6-17(14)24/h2-12H,13H2,1H3,(H,27,29)/b16-11-
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| InChIKey |
PSSRYQDYNCKPMM-WJDWOHSUSA-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