General Information of the Compound
| Compound ID |
CP0411514
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| Compound Name |
4-[3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]propyl]-1-propan-2-ylpiperidin-4-ol
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| Structure |
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| Formula |
C28H40N4O
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| Molecular Weight |
448.655
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| Canonical SMILES |
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(CC2)C(C)C)cc1
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| InChI |
InChI=1S/C28H40N4O/c1-6-26-25(27-29-21(4)18-22(5)32(27)30-26)19-24-11-9-23(10-12-24)8-7-13-28(33)14-16-31(17-15-28)20(2)3/h9-12,18,20,33H,6-8,13-17,19H2,1-5H3
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| InChIKey |
LTOUJPZHCMXJQW-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: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2