General Information of the Compound
| Compound ID |
CP0540439
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| Compound Name |
tert-butyl 3-[[6,7-dimethoxy-2-(4-methylsulfonylanilino)quinazolin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C29H37N5O6S
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| Molecular Weight |
583.711
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| Canonical SMILES |
COc1cc2nc(Nc3ccc(cc3)S(C)(=O)=O)nc(NC3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2cc1OC
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| InChI |
InChI=1S/C29H37N5O6S/c1-29(2,3)40-28(35)34-19-9-10-20(34)14-18(13-19)30-26-22-15-24(38-4)25(39-5)16-23(22)32-27(33-26)31-17-7-11-21(12-8-17)41(6,36)37/h7-8,11-12,15-16,18-20H,9-10,13-14H2,1-6H3,(H2,30,31,32,33)
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| InChIKey |
OXMFKUBBAMCZJL-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