General Information of the Compound
| Compound ID |
CP0470166
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| Compound Name |
US9187437, 20
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| Structure |
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| Formula |
C29H29FN2O2
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| Molecular Weight |
456.561
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| Canonical SMILES |
Fc1ccccc1COc1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C29H29FN2O2/c30-26-12-6-5-9-23(26)21-33-25-15-13-22(14-16-25)28-31-27(34-32-28)17-20-29(18-7-2-8-19-29)24-10-3-1-4-11-24/h1,3-6,9-16H,2,7-8,17-21H2
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| InChIKey |
NOUUBEAAHXABFN-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