General Information of the Compound
| Compound ID |
CP0466449
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| Compound Name |
2-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl N-ethylcarbamodithioate
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| Structure |
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| Formula |
C24H25FN6O2S2
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| Molecular Weight |
512.636
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| Canonical SMILES |
CCNC(=S)SCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
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| InChI |
InChI=1S/C24H25FN6O2S2/c1-3-21(32)28-17-6-5-7-18(14-17)29-22-20(25)15-27-23(31-22)30-16-8-10-19(11-9-16)33-12-13-35-24(34)26-4-2/h3,5-11,14-15H,1,4,12-13H2,2H3,(H,26,34)(H,28,32)(H2,27,29,30,31)
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| InChIKey |
ADGIOZUNSWTHKH-UHFFFAOYSA-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