General Information of the Compound
| Compound ID |
CP0458096
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| Compound Name |
1-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-methyl-4-phenylpiperidine-2,6-dione
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
COc1ccc(Cl)cc1N1CCN(CCCN2C(=O)CC(C)(CC2=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H32ClN3O3/c1-26(20-7-4-3-5-8-20)18-24(31)30(25(32)19-26)12-6-11-28-13-15-29(16-14-28)22-17-21(27)9-10-23(22)33-2/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3
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| InChIKey |
KCBGUGDNPBJJQV-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