General Information of the Compound
| Compound ID |
CP0470487
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| Compound Name |
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxythieno[3,2-d]pyrimidin-7-yl]-2-fluoro-N-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C26H27FN6O3S
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| Molecular Weight |
522.606
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(C(=O)N(C)OC)c(F)c1
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| InChI |
InChI=1S/C26H27FN6O3S/c1-4-16-12-28-26(29-13-16)33-9-7-18(8-10-33)36-24-23-22(30-15-31-24)20(14-37-23)17-5-6-19(21(27)11-17)25(34)32(2)35-3/h5-6,11-15,18H,4,7-10H2,1-3H3
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| InChIKey |
ORQUYIDENLOCBG-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