General Information of the Compound
| Compound ID |
CP0756782
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| Compound Name |
{5-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]bicyclo[3.2.2]non-1-yl}acetic Acid
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| Structure |
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCCC(C(=O)O)(CC2)CC3)cc1
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| InChI |
InChI=1S/C24H28N4O3/c1-22(2)18(28-17-19(25)26-14-27-20(17)31-22)15-4-6-16(7-5-15)23-8-3-9-24(12-10-23,13-11-23)21(29)30/h4-7,14H,3,8-13H2,1-2H3,(H,29,30)(H2,25,26,27)
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| InChIKey |
DUEIVZSAOXTVES-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