General Information of the Compound
| Compound ID |
CP0272197
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| Compound Name |
(E)-6-{2-[2-Cyclohexyl-4-(4-fluoro-phenyl)-6-phenyl-pyridin-3-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one
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| Structure |
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| Formula |
C30H30FNO3
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| Molecular Weight |
471.572
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| Canonical SMILES |
O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc(cc1-c1ccc(F)cc1)-c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C30H30FNO3/c31-23-13-11-20(12-14-23)27-19-28(21-7-3-1-4-8-21)32-30(22-9-5-2-6-10-22)26(27)16-15-25-17-24(33)18-29(34)35-25/h1,3-4,7-8,11-16,19,22,24-25,33H,2,5-6,9-10,17-18H2/b16-15+/t24-,25-/m1/s1
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| InChIKey |
RLORTZFLTXGQMX-MOCODALISA-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