General Information of the Compound
| Compound ID |
CP0465311
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| Compound Name |
(1-methylcyclopropyl) 6-[5-fluoro-6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
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| Structure |
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| Formula |
C23H26FN5O3
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| Molecular Weight |
439.491
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(N2C3CC4CC2CC(C3)N4C(=O)OC2(C)CC2)c1F
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| InChI |
InChI=1S/C23H26FN5O3/c1-13-18(4-3-7-25-13)31-21-19(24)20(26-12-27-21)28-14-8-16-10-15(28)11-17(9-14)29(16)22(30)32-23(2)5-6-23/h3-4,7,12,14-17H,5-6,8-11H2,1-2H3
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| InChIKey |
XSANSZWOJKRDEN-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