General Information of the Compound
| Compound ID |
CP0571859
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| Compound Name |
US11078186, Example 87
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| Structure |
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| Formula |
C27H23F6NO2
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| Molecular Weight |
507.474
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| Canonical SMILES |
C[C@@]1(CN(C[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C(=O)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C27H23F6NO2/c1-24(20-10-6-3-7-11-20)17-34(23(35)19-8-4-2-5-9-19)16-22(24)18-12-14-21(15-13-18)25(36,26(28,29)30)27(31,32)33/h2-15,22,36H,16-17H2,1H3/t22-,24+/m0/s1
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| InChIKey |
QGXLQHDKLPYLDY-LADGPHEKSA-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