General Information of the Compound
| Compound ID |
CP0578112
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| Compound Name |
US8969325, 227
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| Structure |
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| Formula |
C25H30FN3O3
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| Molecular Weight |
439.531
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| Canonical SMILES |
CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3CCC(=O)Nc3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C25H30FN3O3/c1-3-11-25(12-4-2)15-21(19-13-17(26)7-9-22(19)32-25)29-24(31)27-18-8-5-16-6-10-23(30)28-20(16)14-18/h5,7-9,13-14,21H,3-4,6,10-12,15H2,1-2H3,(H,28,30)(H2,27,29,31)/t21-/m1/s1
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| InChIKey |
XYDRBRDYQORPNU-OAQYLSRUSA-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