General Information of the Compound
| Compound ID |
CP0003699
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| Compound Name |
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-methylpentanamide
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| Structure |
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| Formula |
C23H33N5O3
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| Molecular Weight |
427.549
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(NC(=O)C(C)CCCN2CCCN(CC2)C(C)=O)[nH]n1
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| InChI |
InChI=1S/C23H33N5O3/c1-17(6-4-11-27-12-5-13-28(15-14-27)18(2)29)23(30)24-22-16-21(25-26-22)19-7-9-20(31-3)10-8-19/h7-10,16-17H,4-6,11-15H2,1-3H3,(H2,24,25,26,30)
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| InChIKey |
KELGFUJORMNBDM-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