General Information of the Compound
| Compound ID |
CP0183655
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| Compound Name |
1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10-yl)-piperazine
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| Structure |
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| Formula |
C21H24N2
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| Molecular Weight |
304.437
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| Canonical SMILES |
CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C21H24N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3
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| InChIKey |
NLYUVFZOJUSMNV-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: 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