General Information of the Compound
| Compound ID |
CP0440730
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| Compound Name |
4-(4-chlorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
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| Structure |
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN2C(=O)CC(CC2=O)c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C25H30ClN3O3/c1-32-23-6-3-2-5-22(23)28-15-13-27(14-16-28)11-4-12-29-24(30)17-20(18-25(29)31)19-7-9-21(26)10-8-19/h2-3,5-10,20H,4,11-18H2,1H3
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| InChIKey |
NJFRMDBEAVUKJH-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