General Information of the Compound
| Compound ID |
CP0484702
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| Compound Name |
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-nitrophenyl)piperidine-2,6-dione
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| Structure |
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| Formula |
C26H32N4O5
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| Molecular Weight |
480.565
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C26H32N4O5/c1-35-24-7-3-2-6-23(24)28-16-14-27(15-17-28)12-4-5-13-29-25(31)18-21(19-26(29)32)20-8-10-22(11-9-20)30(33)34/h2-3,6-11,21H,4-5,12-19H2,1H3
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| InChIKey |
NPGBHHBYDAPGFD-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