General Information of the Compound
| Compound ID |
CP0896091
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| Compound Name |
4-(4-chlorobenzoyl)-1-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)piperazin-2-one formic acid
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| Structure |
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| Formula |
C28H34ClN3O5
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| Molecular Weight |
528.049
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| Canonical SMILES |
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C(=O)C1.O=CO
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| InChI |
InChI=1S/C27H32ClN3O3.CH2O2/c28-21-7-5-20(6-8-21)27(33)30-17-18-31(26(32)19-30)23-9-11-24(12-10-23)34-25-13-15-29(16-14-25)22-3-1-2-4-22;2-1-3/h5-12,22,25H,1-4,13-19H2;1H,(H,2,3)
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| InChIKey |
WSXMMXMXSWZQOD-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2