General Information of the Compound
| Compound ID |
CP0512456
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| Compound Name |
N-(5-tert-butyl-2-hydroxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide;hydrochloride
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| Formula |
C25H36ClN3O3
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| Molecular Weight |
462.034
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| Canonical SMILES |
Cl.COc1ccccc1N1CCN(CCCC(=O)Nc2cc(ccc2O)C(C)(C)C)CC1
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| InChI |
InChI=1S/C25H35N3O3.ClH/c1-25(2,3)19-11-12-22(29)20(18-19)26-24(30)10-7-13-27-14-16-28(17-15-27)21-8-5-6-9-23(21)31-4;/h5-6,8-9,11-12,18,29H,7,10,13-17H2,1-4H3,(H,26,30);1H
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| InChIKey |
IFCFQOSILVHWOJ-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A