General Information of the Compound
| Compound ID |
CP0401002
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| Compound Name |
(1-((1R,4R)-4-((R)-1-(2-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C34H47N3O3
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| Molecular Weight |
545.768
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| Canonical SMILES |
COc1ccccc1[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C34H47N3O3/c1-25(28-14-8-9-15-30(28)40-4)35-27-16-17-29(33(2,3)24-27)31(38)36-22-18-34(19-23-36,26-12-6-5-7-13-26)32(39)37-20-10-11-21-37/h5-9,12-15,25,27,29,35H,10-11,16-24H2,1-4H3/t25-,27-,29+/m1/s1
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| InChIKey |
YZRLWQACIOKUIV-NLFWHDTNSA-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