General Information of the Compound
| Compound ID |
CP0670657
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| Compound Name |
4-(2-oxo-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)piperazine-4-carbonyl)benzonitrile hydrochloride
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| Structure |
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| Formula |
C26H31ClN4O3
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| Molecular Weight |
483.012
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| Canonical SMILES |
Cl.N#Cc1ccc(C(=O)N2CCN(c3ccc(OCCCN4CCCCC4)cc3)C(=O)C2)cc1
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| InChI |
InChI=1S/C26H30N4O3.ClH/c27-19-21-5-7-22(8-6-21)26(32)29-16-17-30(25(31)20-29)23-9-11-24(12-10-23)33-18-4-15-28-13-2-1-3-14-28;/h5-12H,1-4,13-18,20H2;1H
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| InChIKey |
PJJQGSLLJOVYBM-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