General Information of the Compound
| Compound ID |
CP0845136
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| Compound Name |
4-(2-oxo-1-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)piperazine-4-carbonyl)benzonitrile formic acid
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| Structure |
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| Formula |
C26H30N4O5
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| Molecular Weight |
478.549
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| Canonical SMILES |
N#Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCC4)cc3)C(=O)C2)cc1.O=CO
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| InChI |
InChI=1S/C25H28N4O3.CH2O2/c26-18-20-4-6-21(7-5-20)25(31)28-15-16-29(24(30)19-28)22-8-10-23(11-9-22)32-17-3-14-27-12-1-2-13-27;2-1-3/h4-11H,1-3,12-17,19H2;1H,(H,2,3)
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| InChIKey |
XSOFCOCSPTUCJQ-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