General Information of the Compound
| Compound ID |
CP0389170
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| Compound Name |
5-[4-Hydroxy-4-(4-methoxy-phenyl)-piperidin-1-yl]-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C29H32N2O2
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| Molecular Weight |
440.587
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| Canonical SMILES |
COc1ccc(cc1)C1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C29H32N2O2/c1-33-27-15-13-26(14-16-27)29(32)18-21-31(22-19-29)20-8-17-28(23-30,24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-16,32H,8,17-22H2,1H3
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| InChIKey |
FFRLOIAKURWWBT-UHFFFAOYSA-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT06171, G-protein coupled receptor homolog US28