General Information of the Compound
| Compound ID |
CP0919815
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| Compound Name |
(+/-)-(1-(5-(4-fluorobenzyloxy)-2-hydroxycyclohexyl)piperidin-4-yl)-(4-fluorophenyl)methanone
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| Structure |
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| Formula |
C25H29F2NO3
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| Molecular Weight |
429.507
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| Canonical SMILES |
O=C(c1ccc(F)cc1)C1CCN([C@@H]2C[C@H](OCc3ccc(F)cc3)CC[C@H]2O)CC1
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| InChI |
InChI=1S/C25H29F2NO3/c26-20-5-1-17(2-6-20)16-31-22-9-10-24(29)23(15-22)28-13-11-19(12-14-28)25(30)18-3-7-21(27)8-4-18/h1-8,19,22-24,29H,9-16H2/t22-,23-,24-/m1/s1
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| InChIKey |
AFDPQDNIPFKNJO-WXFUMESZSA-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