General Information of the Compound
| Compound ID |
CP0466642
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| Compound Name |
US8906911, Compound B
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| Structure |
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| Formula |
C25H34F3N3O2
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| Molecular Weight |
465.56
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)C12CCCC1CC(C2)NC1CCOCC1
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| InChI |
InChI=1S/C25H34F3N3O2/c26-25(27,28)18-3-5-22(6-4-18)30-10-12-31(13-11-30)23(32)24-9-1-2-19(24)16-21(17-24)29-20-7-14-33-15-8-20/h3-6,19-21,29H,1-2,7-17H2
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| InChIKey |
TXFLNOPTEGFOID-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