General Information of the Compound
| Compound ID |
CP0451038
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| Compound Name |
(1-methylcyclopropyl) (1R,5R)-7-[6-(2-fluoro-4-methylsulfonylanilino)-5-methoxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
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| Structure |
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| Formula |
C24H29FN4O7S
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| Molecular Weight |
536.582
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| Canonical SMILES |
COc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1OC1C[C@@H]2COC[C@@H](C1)N2C(=O)OC1(C)CC1
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| InChI |
InChI=1S/C24H29FN4O7S/c1-24(6-7-24)36-23(30)29-14-8-16(9-15(29)12-34-11-14)35-22-20(33-2)21(26-13-27-22)28-19-5-4-17(10-18(19)25)37(3,31)32/h4-5,10,13-16H,6-9,11-12H2,1-3H3,(H,26,27,28)/t14-,15-/m1/s1
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| InChIKey |
OOEDDQOUAOPIDQ-HUUCEWRRSA-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