General Information of the Compound
| Compound ID |
CP0486224
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| Compound Name |
1-(4-((5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-ylamino)methyl)piperidin-1-yl)-3-phenoxypropan-2-ol
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| Structure |
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| Formula |
C27H29FN4O2S
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| Molecular Weight |
492.62
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| Canonical SMILES |
OC(COc1ccccc1)CN1CCC(CNc2ncnc3scc(-c4ccc(F)cc4)c23)CC1
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| InChI |
InChI=1S/C27H29FN4O2S/c28-21-8-6-20(7-9-21)24-17-35-27-25(24)26(30-18-31-27)29-14-19-10-12-32(13-11-19)15-22(33)16-34-23-4-2-1-3-5-23/h1-9,17-19,22,33H,10-16H2,(H,29,30,31)
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| InChIKey |
GGDNRBLKHXNIEB-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