General Information of the Compound
| Compound ID |
CP0910252
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| Compound Name |
(1S,5S)-8-(isopropylsulfonyl)-3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C21H28N4O4S
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| Molecular Weight |
432.546
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3S(=O)(=O)C(C)C)c1C
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| InChI |
InChI=1S/C21H28N4O4S/c1-13(2)30(26,27)25-16-7-8-17(25)11-18(10-16)28-20-14(3)21(24-12-23-20)29-19-6-5-9-22-15(19)4/h5-6,9,12-13,16-18H,7-8,10-11H2,1-4H3/t16-,17+,18+
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| InChIKey |
GMXFOTZYULOWKE-PIIMJCKOSA-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