General Information of the Compound
| Compound ID |
CP0445792
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| Compound Name |
5-(4-Butyl-4-hydroxy-piperidin-1-yl)-2,2-diphenyl-pentanenitrile
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| Structure |
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| Formula |
C26H34N2O
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| Molecular Weight |
390.571
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| Canonical SMILES |
CCCCC1(O)CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H34N2O/c1-2-3-15-25(29)17-20-28(21-18-25)19-10-16-26(22-27,23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,29H,2-3,10,15-21H2,1H3
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| InChIKey |
XQJJPORTUWZGIY-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