General Information of the Compound
| Compound ID |
CP0847549
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| Compound Name |
(1S,5S)-8-(cyclopropylsulfonyl)-3-(5-methyl-6-(2-(trifluoromethyl)pyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C21H23F3N4O4S
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| Molecular Weight |
484.5
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| Canonical SMILES |
Cc1c(Oc2cccnc2C(F)(F)F)ncnc1O[C@H]1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C21H23F3N4O4S/c1-12-19(26-11-27-20(12)32-17-3-2-8-25-18(17)21(22,23)24)31-15-9-13-4-5-14(10-15)28(13)33(29,30)16-6-7-16/h2-3,8,11,13-16H,4-7,9-10H2,1H3/t13-,14+,15+
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| InChIKey |
ZBIFPWPJYZVCIM-FICVDOATSA-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