General Information of the Compound
| Compound ID |
CP0462603
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| Compound Name |
propan-2-yl 4-[[7-(4-cyano-2-fluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H24FN5O3
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| Molecular Weight |
425.464
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)C#N
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| InChI |
InChI=1S/C22H24FN5O3/c1-14(2)30-22(29)27-8-5-16(6-9-27)31-21-17-7-10-28(20(17)25-13-26-21)19-4-3-15(12-24)11-18(19)23/h3-4,11,13-14,16H,5-10H2,1-2H3
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| InChIKey |
WKZCKDQEXVWDDI-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