General Information of the Compound
| Compound ID |
CP0524608
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| Compound Name |
(1S,3S,5R)-8-(cyclopropylsulfonyl)-3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octan-6-ol
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| Structure |
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| Formula |
C21H26N4O5S
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| Molecular Weight |
446.529
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| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3CC(O)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C
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| InChI |
InChI=1S/C21H26N4O5S/c1-12-20(23-11-24-21(12)30-19-4-3-7-22-13(19)2)29-15-8-14-9-18(26)17(10-15)25(14)31(27,28)16-5-6-16/h3-4,7,11,14-18,26H,5-6,8-10H2,1-2H3/t14-,15+,17-,18?/m1/s1
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| InChIKey |
PFZMZPXWQVAMES-FZBAJKBMSA-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