General Information of the Compound
| Compound ID |
CP0415181
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| Compound Name |
1-[(1R,2R,5R)-5-[(4-fluorophenyl)methoxy]-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol
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| Structure |
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| Formula |
C24H30FNO3
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| Molecular Weight |
399.506
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| Canonical SMILES |
O[C@@H]1CC[C@H](C[C@H]1N1CCC(O)(CC1)c1ccccc1)OCc1ccc(F)cc1
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| InChI |
InChI=1S/C24H30FNO3/c25-20-8-6-18(7-9-20)17-29-21-10-11-23(27)22(16-21)26-14-12-24(28,13-15-26)19-4-2-1-3-5-19/h1-9,21-23,27-28H,10-17H2/t21-,22-,23-/m1/s1
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| InChIKey |
MTTSTAUBNYETRM-DNVJHFABSA-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