General Information of the Compound
| Compound ID |
CP0500462
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| Compound Name |
8-[4-(2-Oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-4-yl)-phenyl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C27H35N5O8
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| Molecular Weight |
557.604
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N(CC(=O)OCC)CC(=O)OCC)cc1
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| InChI |
InChI=1S/C27H35N5O8/c1-5-13-31-25-23(26(36)32(14-6-2)27(31)37)28-24(29-25)18-9-11-19(12-10-18)40-17-20(33)30(15-21(34)38-7-3)16-22(35)39-8-4/h9-12H,5-8,13-17H2,1-4H3,(H,28,29)
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| InChIKey |
ORPNWGHVSQBASK-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