General Information of the Compound
| Compound ID |
CP0489054
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| Compound Name |
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxythieno[3,2-d]pyrimidin-7-yl]-N-methoxy-N-methylbenzamide
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| Structure |
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| Formula |
C26H28N6O3S
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| Molecular Weight |
504.616
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)C(=O)N(C)OC
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| InChI |
InChI=1S/C26H28N6O3S/c1-4-17-13-27-26(28-14-17)32-11-9-20(10-12-32)35-24-23-22(29-16-30-24)21(15-36-23)18-5-7-19(8-6-18)25(33)31(2)34-3/h5-8,13-16,20H,4,9-12H2,1-3H3
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| InChIKey |
KCJVOPFJOAHHFR-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