General Information of the Compound
| Compound ID |
CP0506796
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| Compound Name |
US8969325, 196
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| Structure |
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| Formula |
C23H27FN4O5
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| Molecular Weight |
458.49
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| Canonical SMILES |
COCC1(COC)C[C@@H](NC(=O)Nc2ccc3CN(C)C(=O)Nc3c2)c2cc(F)ccc2O1
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| InChI |
InChI=1S/C23H27FN4O5/c1-28-11-14-4-6-16(9-18(14)27-22(28)30)25-21(29)26-19-10-23(12-31-2,13-32-3)33-20-7-5-15(24)8-17(19)20/h4-9,19H,10-13H2,1-3H3,(H,27,30)(H2,25,26,29)/t19-/m1/s1
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| InChIKey |
AEHMSBLLXOAWCO-LJQANCHMSA-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