General Information of the Compound
| Compound ID |
CP0529497
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| Compound Name |
(4-fluorophenyl)-[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
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| Structure |
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| Formula |
C23H26FN3O3
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| Molecular Weight |
411.477
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| Canonical SMILES |
O[C@H]1CN(CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(=O)c1cccnc1
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| InChI |
InChI=1S/C23H26FN3O3/c24-19-5-3-16(4-6-19)22(29)17-7-11-26(12-8-17)20-9-13-27(15-21(20)28)23(30)18-2-1-10-25-14-18/h1-6,10,14,17,20-21,28H,7-9,11-13,15H2/t20-,21-/m0/s1
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| InChIKey |
JRWVMFOVAFASOD-SFTDATJTSA-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