General Information of the Compound
| Compound ID |
CP0046852
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| Compound Name |
1-Benzyl-4-chroman-2-ylmethyl-piperazine
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| Synonyms |
1-Benzyl-4-chroman-2-ylmethyl-piperazine
1-[(chroman-2-yl)methyl]-4-benzylpiperazine
AJZBPCAHQHCXMX-UHFFFAOYSA-N
BDBM50159018
CHEMBL179648
SCHEMBL8031431
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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| InChIKey |
AJZBPCAHQHCXMX-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Clinical Information about the Compound