General Information of the Compound
| Compound ID |
CP0545467
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| Compound Name |
1-[4-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C25H29FN6O2S
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| Molecular Weight |
496.612
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(OC3CCN(CC3)C(=O)C=C)c3sccc3n2)cc1F
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| InChI |
InChI=1S/C25H29FN6O2S/c1-3-22(33)32-9-6-18(7-10-32)34-24-23-20(8-15-35-23)28-25(29-24)27-17-4-5-21(19(26)16-17)31-13-11-30(2)12-14-31/h3-5,8,15-16,18H,1,6-7,9-14H2,2H3,(H,27,28,29)
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| InChIKey |
GSKWWCQBRBURBB-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