General Information of the Compound
| Compound ID |
CP0458094
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| Compound Name |
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-4-phenylpiperidine-2,6-dione
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| Structure |
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCN2C(=O)CC(CC2=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C27H35N3O3/c1-33-25-13-7-6-12-24(25)29-18-16-28(17-19-29)14-8-3-9-15-30-26(31)20-23(21-27(30)32)22-10-4-2-5-11-22/h2,4-7,10-13,23H,3,8-9,14-21H2,1H3
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| InChIKey |
PGGAKENNUWLOBA-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