General Information of the Compound
| Compound ID |
CP0460029
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| Compound Name |
[1-[(3S,4S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C26H34N2O4
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| Molecular Weight |
438.568
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| Canonical SMILES |
COc1ccc(CN2CC[C@@H]([C@@H](O)C2)N2CCC(CC2)C(=O)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C26H34N2O4/c1-31-22-7-3-19(4-8-22)17-27-14-13-24(25(29)18-27)28-15-11-21(12-16-28)26(30)20-5-9-23(32-2)10-6-20/h3-10,21,24-25,29H,11-18H2,1-2H3/t24-,25-/m0/s1
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| InChIKey |
RYVPAHAXNZYRGX-DQEYMECFSA-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