General Information of the Compound
| Compound ID |
CP0845131
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| Compound Name |
4-(1-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-2-oxopiperazine-4-carbonyl)benzonitrile formic acid
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| Structure |
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| Formula |
C29H34N4O5
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| Molecular Weight |
518.614
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| Canonical SMILES |
N#Cc1ccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCCC5)CC4)cc3)C(=O)C2)cc1.O=CO
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| InChI |
InChI=1S/C28H32N4O3.CH2O2/c29-19-21-5-7-22(8-6-21)28(34)31-17-18-32(27(33)20-31)24-9-11-25(12-10-24)35-26-13-15-30(16-14-26)23-3-1-2-4-23;2-1-3/h5-12,23,26H,1-4,13-18,20H2;1H,(H,2,3)
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| InChIKey |
BTGWCFVBMYAJIJ-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