General Information of the Compound
| Compound ID |
CP0570436
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| Compound Name |
2-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]ethyl N-cyclopropylcarbamodithioate
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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)NC3CC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H25FN6O2S2/c1-2-22(33)28-18-4-3-5-19(14-18)29-23-21(26)15-27-24(32-23)30-16-8-10-20(11-9-16)34-12-13-36-25(35)31-17-6-7-17/h2-5,8-11,14-15,17H,1,6-7,12-13H2,(H,28,33)(H,31,35)(H2,27,29,30,32)
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| InChIKey |
UIIZVJNYFONGCZ-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