General Information of the Compound
| Compound ID |
CP0472822
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| Compound Name |
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C25H29FN2O4
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| Molecular Weight |
440.515
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(C[C@@H]1O)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H29FN2O4/c1-32-21-8-4-17(5-9-21)24(30)18-10-13-27(14-11-18)22-12-15-28(16-23(22)29)25(31)19-2-6-20(26)7-3-19/h2-9,18,22-23,29H,10-16H2,1H3/t22-,23-/m0/s1
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| InChIKey |
BZEHXQZOWCYGFY-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