General Information of the Compound
| Compound ID |
CP0007210
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| Compound Name |
US9777008, Compound 139
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| Structure |
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| Formula |
C23H23FN2O2
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| Molecular Weight |
378.447
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| Canonical SMILES |
OC(COc1cccc(c1)-c1cccnc1F)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H23FN2O2/c24-23-22(9-4-11-25-23)18-7-3-8-21(13-18)28-16-20(27)15-26-12-10-17-5-1-2-6-19(17)14-26/h1-9,11,13,20,27H,10,12,14-16H2
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| InChIKey |
FAIPIJNYKDXJMJ-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