General Information of the Compound
| Compound ID |
CP0006365
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| Compound Name |
4-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
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| Structure |
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| Formula |
C20H28N4O2
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| Molecular Weight |
356.47
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)CCCN2CCCCCC2)[nH]n1
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| InChI |
InChI=1S/C20H28N4O2/c1-26-17-10-8-16(9-11-17)18-15-19(23-22-18)21-20(25)7-6-14-24-12-4-2-3-5-13-24/h8-11,15H,2-7,12-14H2,1H3,(H2,21,22,23,25)
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| InChIKey |
KOTAZQOZDGBEDN-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT02515, Neuronal acetylcholine receptor subunit alpha-3
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7