General Information of the Compound
| Compound ID |
CP0474646
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| Compound Name |
((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexyl)(4-phenyl-4-(pyridin-3-yl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C34H43N3O2
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| Molecular Weight |
525.737
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2cccnc2)C(C)(C)C1
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| InChI |
InChI=1S/C34H43N3O2/c1-25(26-12-15-30(39-4)16-13-26)36-29-14-17-31(33(2,3)23-29)32(38)37-21-18-34(19-22-37,27-9-6-5-7-10-27)28-11-8-20-35-24-28/h5-13,15-16,20,24-25,29,31,36H,14,17-19,21-23H2,1-4H3/t25-,29-,31+/m1/s1
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| InChIKey |
KFRSZZULQFGVFW-ICTSCBFQSA-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