General Information of the Compound
| Compound ID |
CP0425324
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| Compound Name |
tert-butyl 4-[[2-(2-fluoro-4-methylsulfonylanilino)-6,7-dimethoxyquinazolin-4-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C28H35FN4O7S
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| Molecular Weight |
590.674
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| Canonical SMILES |
COc1cc2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(OCC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
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| InChI |
InChI=1S/C28H35FN4O7S/c1-28(2,3)40-27(34)33-11-9-17(10-12-33)16-39-25-19-14-23(37-4)24(38-5)15-22(19)31-26(32-25)30-21-8-7-18(13-20(21)29)41(6,35)36/h7-8,13-15,17H,9-12,16H2,1-6H3,(H,30,31,32)
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| InChIKey |
VHFAEJZHWSBDMY-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