General Information of the Compound
| Compound ID |
CP0501089
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| Compound Name |
1-({2-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-ethylcarbamoyl}-methyl)-5-oxo-pyrrolidine-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C24H36N4O5
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| Molecular Weight |
460.575
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| Canonical SMILES |
CCOC(=O)C1CCC(=O)N1CC(=O)NCCN1CCN(CC1)c1ccccc1OC(C)C
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| InChI |
InChI=1S/C24H36N4O5/c1-4-32-24(31)20-9-10-23(30)28(20)17-22(29)25-11-12-26-13-15-27(16-14-26)19-7-5-6-8-21(19)33-18(2)3/h5-8,18,20H,4,9-17H2,1-3H3,(H,25,29)
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| InChIKey |
VRPBNMBLMZTHCA-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