General Information of the Compound
| Compound ID |
CP0194564
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| Compound Name |
2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)bicyclo[2.2.2]octan-1-yl]propanoic acid
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
CC(C(O)=O)C12CCC(CC1)(CC2)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C
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| InChI |
InChI=1S/C25H30N4O3/c1-15(22(30)31)24-8-11-25(12-9-24,13-10-24)17-6-4-16(5-7-17)19-23(2,3)32-21-18(29-19)20(26)27-14-28-21/h4-7,14-15H,8-13H2,1-3H3,(H,30,31)(H2,26,27,28)
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| InChIKey |
SDCTVTHMLSAULR-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