General Information of the Compound
| Compound ID |
CP0504899
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| Compound Name |
[1-[(3S,4S)-1-benzyl-4-hydroxypiperidin-3-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
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| Structure |
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| Formula |
C24H29FN2O2
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| Molecular Weight |
396.506
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| Canonical SMILES |
O[C@H]1CCN(Cc2ccccc2)C[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H29FN2O2/c25-21-8-6-19(7-9-21)24(29)20-10-14-27(15-11-20)22-17-26(13-12-23(22)28)16-18-4-2-1-3-5-18/h1-9,20,22-23,28H,10-17H2/t22-,23-/m0/s1
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| InChIKey |
NXKOXFVSZFEZNX-GOTSBHOMSA-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