General Information of the Compound
| Compound ID |
CP0417537
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| Compound Name |
tert-butyl 3-[4-(2-fluoro-4-methylsulfonylanilino)-6,7-dimethoxyquinazolin-2-yl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
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| Structure |
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| Formula |
C29H36FN5O6S
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| Molecular Weight |
601.701
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| Canonical SMILES |
COc1cc2nc(nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC)N1CCC2CCC(C1)N2C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H36FN5O6S/c1-29(2,3)41-28(36)35-17-7-8-18(35)16-34(12-11-17)27-32-23-15-25(40-5)24(39-4)14-20(23)26(33-27)31-22-10-9-19(13-21(22)30)42(6,37)38/h9-10,13-15,17-18H,7-8,11-12,16H2,1-6H3,(H,31,32,33)
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| InChIKey |
WSXKNGYNBXFWOB-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