General Information of the Compound
| Compound ID |
CP0554866
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| Compound Name |
2-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl N-prop-2-enylcarbamodithioate
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| Structure |
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| Formula |
C25H25FN6O2S2
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| Molecular Weight |
524.647
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| Canonical SMILES |
Fc1cnc(Nc2ccc(OCCSC(=S)NCC=C)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H25FN6O2S2/c1-3-12-27-25(35)36-14-13-34-20-10-8-17(9-11-20)31-24-28-16-21(26)23(32-24)30-19-7-5-6-18(15-19)29-22(33)4-2/h3-11,15-16H,1-2,12-14H2,(H,27,35)(H,29,33)(H2,28,30,31,32)
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| InChIKey |
OACHSPHCNOIPNC-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