General Information of the Compound
| Compound ID |
CP0388818
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| Compound Name |
4-(4-chlorophenyl)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]piperidine-2,6-dione
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| Structure |
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| Formula |
C24H28ClN3O3
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| Molecular Weight |
441.959
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| Canonical SMILES |
COc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C24H28ClN3O3/c1-31-22-5-3-2-4-21(22)27-13-10-26(11-14-27)12-15-28-23(29)16-19(17-24(28)30)18-6-8-20(25)9-7-18/h2-9,19H,10-17H2,1H3
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| InChIKey |
MMECQTDYKMGZFE-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