General Information of the Compound
| Compound ID |
CP0411513
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| Compound Name |
4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-2-one
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| Structure |
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| Formula |
C24H29N5O
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| Molecular Weight |
403.53
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| Canonical SMILES |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCNC(=O)C2)cc1
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| InChI |
InChI=1S/C24H29N5O/c1-4-22-21(24-26-17(2)14-18(3)29(24)27-22)15-20-9-7-19(8-10-20)6-5-12-28-13-11-25-23(30)16-28/h5-10,14H,4,11-13,15-16H2,1-3H3,(H,25,30)/b6-5+
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| InChIKey |
RCLGGYHTKGHRBY-AATRIKPKSA-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: PT06663, G-protein coupled receptor 4
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2