General Information of the Compound
| Compound ID |
CP0498964
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| Compound Name |
1'-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4'-phenyl-1,4'-bipiperidin-2-one
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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 |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCCC2=O)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C34H47N3O3/c1-25(26-13-16-29(40-4)17-14-26)35-28-15-18-30(33(2,3)24-28)32(39)36-22-19-34(20-23-36,27-10-6-5-7-11-27)37-21-9-8-12-31(37)38/h5-7,10-11,13-14,16-17,25,28,30,35H,8-9,12,15,18-24H2,1-4H3/t25-,28-,30+/m1/s1
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| InChIKey |
HLGRHYKMFNEQSC-CZMKHNCBSA-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