General Information of the Compound
| Compound ID |
CP0497205
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| Compound Name |
N-methyl-2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C23H36N4O3
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| Molecular Weight |
416.566
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(CCN(C)C(=O)CN2CCCCC2=O)CC1
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| InChI |
InChI=1S/C23H36N4O3/c1-19(2)30-21-9-5-4-8-20(21)26-16-14-25(15-17-26)13-12-24(3)23(29)18-27-11-7-6-10-22(27)28/h4-5,8-9,19H,6-7,10-18H2,1-3H3
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| InChIKey |
SGJZRVNMCHXQCC-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