General Information of the Compound
| Compound ID |
CP0902706
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| Compound Name |
4-(4-fluorobenzoyl)-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)piperazin-2-one formic acid
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| Structure |
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| Formula |
C25H30FN3O5
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| Molecular Weight |
471.529
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| Canonical SMILES |
O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1.O=CO
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| InChI |
InChI=1S/C24H28FN3O3.CH2O2/c25-20-6-4-19(5-7-20)24(30)27-15-16-28(23(29)18-27)21-8-10-22(11-9-21)31-17-3-14-26-12-1-2-13-26;2-1-3/h4-11H,1-3,12-18H2;1H,(H,2,3)
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| InChIKey |
OXAGECQHLDNVCY-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