General Information of the Compound
| Compound ID |
CP0558235
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| Compound Name |
5,7-dimethyl-2-(2-methylpropyl)-3-[[4-[(E)-3-(4-propan-2-ylpiperazin-1-yl)prop-1-enyl]phenyl]methyl]imidazo[4,5-b]pyridine
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| Structure |
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| Formula |
C29H41N5
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| Molecular Weight |
459.682
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| Canonical SMILES |
CC(C)Cc1nc2c(C)cc(C)nc2n1Cc1ccc(\C=C\CN2CCN(CC2)C(C)C)cc1
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| InChI |
InChI=1S/C29H41N5/c1-21(2)18-27-31-28-23(5)19-24(6)30-29(28)34(27)20-26-11-9-25(10-12-26)8-7-13-32-14-16-33(17-15-32)22(3)4/h7-12,19,21-22H,13-18,20H2,1-6H3/b8-7+
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| InChIKey |
DUTZUQGCTMPMBD-BQYQJAHWSA-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