General Information of the Compound
| Compound ID |
CP0921505
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| Compound Name |
1-{(E)-5-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-2-oxo-pent-3-enyl}-piperidin-2-one
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| Structure |
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| Formula |
C23H33N3O3
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| Molecular Weight |
399.535
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(C/C=C/C(=O)CN2CCCCC2=O)CC1
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| InChI |
InChI=1S/C23H33N3O3/c1-19(2)29-22-10-4-3-9-21(22)25-16-14-24(15-17-25)12-7-8-20(27)18-26-13-6-5-11-23(26)28/h3-4,7-10,19H,5-6,11-18H2,1-2H3/b8-7+
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| InChIKey |
KSRMLSMXMVIXSF-BQYQJAHWSA-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