General Information of the Compound
| Compound ID |
CP0452459
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| Compound Name |
(4,4-diphenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexyl)methanone
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| Structure |
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| Formula |
C35H44N2O2
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| Molecular Weight |
524.749
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C35H44N2O2/c1-26(27-15-18-31(39-4)19-16-27)36-30-17-20-32(34(2,3)25-30)33(38)37-23-21-35(22-24-37,28-11-7-5-8-12-28)29-13-9-6-10-14-29/h5-16,18-19,26,30,32,36H,17,20-25H2,1-4H3/t26-,30-,32+/m1/s1
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| InChIKey |
PBANDLYPUDAWHY-FUKIBTTHSA-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
Protein ID: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter