General Information of the Compound
| Compound ID |
CP0505644
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-oxopiperidin-1-yl)acetamide
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| Structure |
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| Formula |
C21H32N4O3
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| Molecular Weight |
388.512
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)CN2CCCCC2=O)CC1
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| InChI |
InChI=1S/C21H32N4O3/c1-28-19-8-3-2-7-18(19)24-15-13-23(14-16-24)11-6-10-22-20(26)17-25-12-5-4-9-21(25)27/h2-3,7-8H,4-6,9-17H2,1H3,(H,22,26)
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| InChIKey |
KEQNBNIXVZSUDE-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor