General Information of the Compound
| Compound ID |
CP0408534
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| Compound Name |
(2R)-3-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]piperazin-1-yl]propane-1,2-diol
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| Structure |
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| Formula |
C27H37N5O2
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| Molecular Weight |
463.626
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| Canonical SMILES |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(C[C@@H](O)CO)CC2)cc1
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| InChI |
InChI=1S/C27H37N5O2/c1-4-26-25(27-28-20(2)16-21(3)32(27)29-26)17-23-9-7-22(8-10-23)6-5-11-30-12-14-31(15-13-30)18-24(34)19-33/h5-10,16,24,33-34H,4,11-15,17-19H2,1-3H3/b6-5+/t24-/m1/s1
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| InChIKey |
ABWOWIYOHHZBRY-QQHIZMLBSA-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