General Information of the Compound
| Compound ID |
CP0506142
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| Compound Name |
(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2-methoxyethyl)-2-methylimino-1,3-thiazolidin-4-one
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| Formula |
C20H21F2N3O2S
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| Molecular Weight |
405.47
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| Canonical SMILES |
COCCN1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(c1C)-c1ccc(F)cc1F
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| InChI |
InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(7-8-27-4)20(23-3)28-18/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20-
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| InChIKey |
PLAQZKAMKVCOKM-ZGNGNRKCSA-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