General Information of the Compound
| Compound ID |
CP0575288
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| Compound Name |
(1R,2R,4R)-4-[(4-fluorophenyl)methoxy]-2-(4-pyridin-4-ylpiperidin-1-yl)cyclohexan-1-ol
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| Structure |
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| Formula |
C23H29FN2O2
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| Molecular Weight |
384.495
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| Canonical SMILES |
O[C@@H]1CC[C@H](C[C@H]1N1CCC(CC1)c1ccncc1)OCc1ccc(F)cc1
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| InChI |
InChI=1S/C23H29FN2O2/c24-20-3-1-17(2-4-20)16-28-21-5-6-23(27)22(15-21)26-13-9-19(10-14-26)18-7-11-25-12-8-18/h1-4,7-8,11-12,19,21-23,27H,5-6,9-10,13-16H2/t21-,22-,23-/m1/s1
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| InChIKey |
CVBXZIGBTQHMOZ-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