General Information of the Compound
| Compound ID |
CP0559074
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| Compound Name |
tert-butyl (1S,4S,5S)-5-[[4-(4-cyano-2-fluoroanilino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2-azabicyclo[2.2.2]octane-2-carboxylate
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| Structure |
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| Formula |
C25H27FN8O2
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| Molecular Weight |
490.543
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| Canonical SMILES |
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@H]2Nc1ncnc2c(Nc3ccc(cc3F)C#N)ncnc12
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| InChI |
InChI=1S/C25H27FN8O2/c1-25(2,3)36-24(35)34-11-15-5-6-16(34)9-19(15)33-23-21-20(28-13-31-23)22(30-12-29-21)32-18-7-4-14(10-27)8-17(18)26/h4,7-8,12-13,15-16,19H,5-6,9,11H2,1-3H3,(H,28,31,33)(H,29,30,32)/t15-,16-,19-/m0/s1
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| InChIKey |
OLMMHFYSHYNVPW-BXWFABGCSA-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