General Information of the Compound
| Compound ID |
CP0495033
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| Compound Name |
US9139585, 33
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| Structure |
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| Formula |
C26H27F3N2O5
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| Molecular Weight |
504.505
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| Canonical SMILES |
OC(CN1CCN(CCc2ccc3C(=O)OCCc3c2)CC1)c1ccc2C(=O)OCc2c1C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N2O5/c27-26(28,29)23-20(4-3-19-21(23)15-36-25(19)34)22(32)14-31-10-8-30(9-11-31)7-5-16-1-2-18-17(13-16)6-12-35-24(18)33/h1-4,13,22,32H,5-12,14-15H2
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| InChIKey |
YKCREZLXMYSMST-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