General Information of the Compound
| Compound ID |
CP0416546
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| Compound Name |
tert-butyl 4-[[4-(4-cyano-2-fluoroanilino)pyrimido[5,4-d]pyrimidin-8-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C23H25FN8O2
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| Molecular Weight |
464.505
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2c(Nc3ccc(cc3F)C#N)ncnc12
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| InChI |
InChI=1S/C23H25FN8O2/c1-23(2,3)34-22(33)32-8-6-15(7-9-32)30-20-18-19(27-12-28-20)21(29-13-26-18)31-17-5-4-14(11-25)10-16(17)24/h4-5,10,12-13,15H,6-9H2,1-3H3,(H,26,29,31)(H,27,28,30)
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| InChIKey |
DPPIHQYPUSNOQB-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