General Information of the Compound
| Compound ID |
CP0478605
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| Compound Name |
US9428456, 1.298
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| Structure |
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| Formula |
C25H32FN3O3
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| Molecular Weight |
441.547
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(F)cc2)cc1CN1CCC(CC1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H32FN3O3/c1-25(2,3)28-24(31)18-11-13-29(14-12-18)16-19-15-21(9-10-22(19)32-4)27-23(30)17-5-7-20(26)8-6-17/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,30)(H,28,31)
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| InChIKey |
CTWDLNAUIDFXSL-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