General Information of the Compound
| Compound ID |
CP0482628
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| Compound Name |
(6-fluoropyridin-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 |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)nc1
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| InChI |
InChI=1S/C21H23FN2O2/c22-20-6-5-17(13-23-20)21(26)14-7-9-24(10-8-14)18-11-15-3-1-2-4-16(15)12-19(18)25/h1-6,13-14,18-19,25H,7-12H2/t18-,19-/m1/s1
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| InChIKey |
KVLAHFTWJKSPNJ-RTBURBONSA-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