General Information of the Compound
| Compound ID |
CP0540422
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| Compound Name |
[6-(2-fluoroethoxy)pyridin-3-yl]-[1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]methanone
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| Structure |
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| Formula |
C23H27FN2O3
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| Molecular Weight |
398.478
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| Canonical SMILES |
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(OCCF)nc1
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| InChI |
InChI=1S/C23H27FN2O3/c24-9-12-29-22-6-5-19(15-25-22)23(28)16-7-10-26(11-8-16)20-13-17-3-1-2-4-18(17)14-21(20)27/h1-6,15-16,20-21,27H,7-14H2/t20-,21-/m1/s1
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| InChIKey |
IVSNCPPNDXXHRP-NHCUHLMSSA-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