General Information of the Compound
| Compound ID |
CP0550872
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| Compound Name |
3-[2-[4-(2-amino-4-ethylpyrrolo[2,3-d]pyrimidin-7-yl)pyridin-2-yl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
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| Structure |
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| Formula |
C20H20N6O2
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| Molecular Weight |
376.42
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| Canonical SMILES |
CCc1nc(N)nc2n(ccc12)-c1ccnc(c1)C#CC1(O)CCN(C)C1=O
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| InChI |
InChI=1S/C20H20N6O2/c1-3-16-15-6-10-26(17(15)24-19(21)23-16)14-5-9-22-13(12-14)4-7-20(28)8-11-25(2)18(20)27/h5-6,9-10,12,28H,3,8,11H2,1-2H3,(H2,21,23,24)
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| InChIKey |
GWRZKZYYTLFWLA-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