General Information of the Compound
| Compound ID |
CP0504904
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| Compound Name |
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone
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| Structure |
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| Formula |
C24H26F2N2O3
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| Molecular Weight |
428.479
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| Canonical SMILES |
O[C@H]1CN(CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26F2N2O3/c25-19-5-1-16(2-6-19)23(30)17-9-12-27(13-10-17)21-11-14-28(15-22(21)29)24(31)18-3-7-20(26)8-4-18/h1-8,17,21-22,29H,9-15H2/t21-,22-/m0/s1
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| InChIKey |
AFUYLLPRKMAJEJ-VXKWHMMOSA-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