General Information of the Compound
| Compound ID |
CP0389910
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| Compound Name |
(4-fluorophenyl)-[1-[(3S,4S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]methanone
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| Structure |
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| Formula |
C25H31FN2O3
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| Molecular Weight |
426.532
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| Canonical SMILES |
COc1ccc(CN2CC[C@@H]([C@@H](O)C2)N2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C25H31FN2O3/c1-31-22-8-2-18(3-9-22)16-27-13-12-23(24(29)17-27)28-14-10-20(11-15-28)25(30)19-4-6-21(26)7-5-19/h2-9,20,23-24,29H,10-17H2,1H3/t23-,24-/m0/s1
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| InChIKey |
JJXAUTCHHLDYHX-ZEQRLZLVSA-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