General Information of the Compound
| Compound ID |
CP0455509
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| Compound Name |
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4-phenylpiperidine-2,6-dione
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| Structure |
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| Formula |
C23H26ClN3O2
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| Molecular Weight |
411.933
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| Canonical SMILES |
Clc1ccccc1N1CCN(CCN2C(=O)CC(CC2=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C23H26ClN3O2/c24-20-8-4-5-9-21(20)26-13-10-25(11-14-26)12-15-27-22(28)16-19(17-23(27)29)18-6-2-1-3-7-18/h1-9,19H,10-17H2
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| InChIKey |
BNIMVTLJBJEXOC-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