General Information of the Compound
| Compound ID |
CP0486968
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| Compound Name |
propan-2-yl 4-[[7-(5-cyanopyridin-2-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C21H24N6O3
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| Molecular Weight |
408.462
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C21H24N6O3/c1-14(2)29-21(28)26-8-5-16(6-9-26)30-20-17-7-10-27(19(17)24-13-25-20)18-4-3-15(11-22)12-23-18/h3-4,12-14,16H,5-10H2,1-2H3
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| InChIKey |
LGVAIDIPCQUDQU-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