General Information of the Compound
| Compound ID |
CP0552610
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| Compound Name |
tert-butyl 4-[8-(4-cyano-2-fluoroanilino)pyrimido[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C23H24FN7O3
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| Molecular Weight |
465.489
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(Nc3ccc(cc3F)C#N)ncnc12
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| InChI |
InChI=1S/C23H24FN7O3/c1-23(2,3)34-22(32)31-8-6-15(7-9-31)33-21-19-18(26-13-29-21)20(28-12-27-19)30-17-5-4-14(11-25)10-16(17)24/h4-5,10,12-13,15H,6-9H2,1-3H3,(H,27,28,30)
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| InChIKey |
OKWLXWPZAPJKLT-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