General Information of the Compound
| Compound ID |
CP0010829
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| Compound Name |
1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine
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| Synonyms |
1-Dibenz(b,f)oxepin-10-yl-4-methylpiperazine
1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine
1-benzo[b][1]benzoxepin-5-yl-4-methylpiperazine
11-(4-Methylpiperazino)dibenz[b,f]oxepin
22012-06-2
5-23-02-00446 (Beilstein Handbook Reference)
AC1L4PU3
AC1Q70N4
AKOS005065368
BDBM50028598
BRN 0624016
CHEMBL89970
CTK8D8624
DTXSID60176452
LS-111456
Piperazine, 1-dibenz(b,f)oxepin-10-yl-4-methyl-
RMI 60947
ZINC26648468
piperazine, 1-dibenz[b,f]oxepin-10-yl-4-methyl-
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| Structure |
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| Formula |
C19H20N2O
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| Molecular Weight |
292.382
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| Canonical SMILES |
CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12
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| InChI |
InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
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| InChIKey |
ZCCUIFWJESTQQQ-UHFFFAOYSA-N
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| CAS |
22012-06-2
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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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound
Drug 1 ( 1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine )
| Drug Name | 1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | ||
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