General Information of the Compound
| Compound ID |
CP0399079
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| Compound Name |
(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-phenylimino-1,3-thiazolidin-4-one
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| Formula |
C23H20FN3OS
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| Molecular Weight |
405.498
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| Canonical SMILES |
CN1\C(S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C1=O)=N\c1ccccc1
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| InChI |
InChI=1S/C23H20FN3OS/c1-15-13-17(16(2)27(15)20-12-8-7-11-19(20)24)14-21-22(28)26(3)23(29-21)25-18-9-5-4-6-10-18/h4-14H,1-3H3/b21-14-,25-23-
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| InChIKey |
RGVXONDFQFJYFX-MZURAFEFSA-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