General Information of the Compound
| Compound ID |
CP0456411
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| Compound Name |
1-[2-[1-[4-[[2,2-dimethylpropyl-(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]triazol-4-yl]ethyl]piperidin-4-ol
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| Structure |
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| Formula |
C27H39N7O
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| Molecular Weight |
477.657
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| Canonical SMILES |
Cc1cc(nc(C)n1)N(Cc1ccc(cc1)-n1cc(CCN2CCC(O)CC2)nn1)CC(C)(C)C
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| InChI |
InChI=1S/C27H39N7O/c1-20-16-26(29-21(2)28-20)33(19-27(3,4)5)17-22-6-8-24(9-7-22)34-18-23(30-31-34)10-13-32-14-11-25(35)12-15-32/h6-9,16,18,25,35H,10-15,17,19H2,1-5H3
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| InChIKey |
UWIAVYPOSIEYKP-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: PT06238, G-protein coupled receptor 4
Protein ID: PT07048, G-protein coupled receptor 4
Protein ID: PT06663, G-protein coupled receptor 4