General Information of the Compound
| Compound ID |
CP0524607
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| Compound Name |
(6S)-tert-butyl 6-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-2-azabicyclo[2.2.1]heptane-2-carboxylate
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| Structure |
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| Formula |
C22H28N4O4
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| Molecular Weight |
412.49
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2CC3CC2N(C3)C(=O)OC(C)(C)C)c1C
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| InChI |
InChI=1S/C22H28N4O4/c1-13-19(28-17-7-6-8-23-14(17)2)24-12-25-20(13)29-18-10-15-9-16(18)26(11-15)21(27)30-22(3,4)5/h6-8,12,15-16,18H,9-11H2,1-5H3/t15?,16?,18-/m0/s1
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| InChIKey |
QOLHUCVLXVPCQL-HTWSVDAQSA-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