General Information of the Compound
| Compound ID |
CP0498963
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| Compound Name |
((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexyl)(4'-phenyl-1,4'-bipiperidin-1'-yl)methanone
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| Structure |
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| Formula |
C34H49N3O2
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| Molecular Weight |
531.785
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C34H49N3O2/c1-26(27-13-16-30(39-4)17-14-27)35-29-15-18-31(33(2,3)25-29)32(38)36-23-19-34(20-24-36,28-11-7-5-8-12-28)37-21-9-6-10-22-37/h5,7-8,11-14,16-17,26,29,31,35H,6,9-10,15,18-25H2,1-4H3/t26-,29-,31+/m1/s1
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| InChIKey |
KDSKMRMZRYWAIM-KHMDJKJYSA-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