General Information of the Compound
| Compound ID |
CP0493673
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| Compound Name |
5-(dimethylamino)-N-[4-[[2,2-dimethylpropyl-(2,6-dimethylpyrimidin-4-yl)amino]methyl]phenyl]pentanamide
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| Structure |
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| Formula |
C25H39N5O
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| Molecular Weight |
425.621
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| Canonical SMILES |
CN(C)CCCCC(=O)Nc1ccc(CN(CC(C)(C)C)c2cc(C)nc(C)n2)cc1
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| InChI |
InChI=1S/C25H39N5O/c1-19-16-23(27-20(2)26-19)30(18-25(3,4)5)17-21-11-13-22(14-12-21)28-24(31)10-8-9-15-29(6)7/h11-14,16H,8-10,15,17-18H2,1-7H3,(H,28,31)
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| InChIKey |
HVIDWCICBSEMRB-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