General Information of the Compound
| Compound ID |
CP0514687
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| Compound Name |
(4-(1,3,4-oxadiazol-2-yl)-4-phenylpiperidin-1-yl)((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexyl)methanone
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| Structure |
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| Formula |
C31H40N4O3
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| Molecular Weight |
516.686
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2nnco2)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C31H40N4O3/c1-22(23-10-13-26(37-4)14-11-23)33-25-12-15-27(30(2,3)20-25)28(36)35-18-16-31(17-19-35,29-34-32-21-38-29)24-8-6-5-7-9-24/h5-11,13-14,21-22,25,27,33H,12,15-20H2,1-4H3/t22-,25-,27+/m1/s1
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| InChIKey |
UBYUNVBXEJWFMM-JBBQQGGESA-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