General Information of the Compound
| Compound ID |
CP0441665
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| Compound Name |
(2-Oxo-piperidin-1-yl)-acetic acid 2-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-ethyl ester
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| Structure |
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| Formula |
C22H33N3O4
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| Molecular Weight |
403.523
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(CCOC(=O)CN2CCCCC2=O)CC1
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| InChI |
InChI=1S/C22H33N3O4/c1-18(2)29-20-8-4-3-7-19(20)24-13-11-23(12-14-24)15-16-28-22(27)17-25-10-6-5-9-21(25)26/h3-4,7-8,18H,5-6,9-17H2,1-2H3
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| InChIKey |
NJIMRYVDUQIHPS-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