General Information of the Compound
| Compound ID |
CP0396609
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| Compound Name |
(1-methylcyclopropyl) 6-[5-ethyl-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 |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
CCc1c(Oc2cccnc2C)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC1(C)CC1
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| InChI |
InChI=1S/C25H31N5O3/c1-4-20-22(27-14-28-23(20)32-21-6-5-9-26-15(21)2)29-16-10-18-12-17(29)13-19(11-16)30(18)24(31)33-25(3)7-8-25/h5-6,9,14,16-19H,4,7-8,10-13H2,1-3H3
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| InChIKey |
AZDUDBIUEWKFGT-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