General Information of the Compound
| Compound ID |
CP0966825
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| Compound Name |
SID85790285
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| Structure |
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| Formula |
C33H38F3N3O4
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| Molecular Weight |
597.678
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
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| InChI |
InChI=1S/C33H38F3N3O4/c1-22-18-39(23(2)21-40)32(42)17-26-16-28(37-31(41)15-24-7-5-4-6-8-24)13-14-29(26)43-30(22)20-38(3)19-25-9-11-27(12-10-25)33(34,35)36/h4-14,16,22-23,30,40H,15,17-21H2,1-3H3,(H,37,41)/t22-,23-,30-/m1/s1
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| InChIKey |
XJOPVLQFFGEWNL-IQLGONJTSA-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