General Information of the Compound
| Compound ID |
CP0496080
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| Compound Name |
(5Z)-5-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C15H13FN4OS
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| Molecular Weight |
316.361
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| Canonical SMILES |
C\N=C1\NC(=O)\C(S1)=C\c1cnn(c1C)-c1ccc(F)cc1
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| InChI |
InChI=1S/C15H13FN4OS/c1-9-10(7-13-14(21)19-15(17-2)22-13)8-18-20(9)12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,21)/b13-7-
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| InChIKey |
NPYKTDNPVWWGGP-QPEQYQDCSA-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