General Information of the Compound
| Compound ID |
CP0463614
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| Compound Name |
N,N-dimethyl-4-(3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl)butan-1-amine
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| Structure |
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| Formula |
C22H28N2O
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| Molecular Weight |
336.479
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| Canonical SMILES |
CN(C)CCCCC1CC2N(O1)c1ccccc1Cc1ccccc21
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| InChI |
InChI=1S/C22H28N2O/c1-23(2)14-8-7-11-19-16-22-20-12-5-3-9-17(20)15-18-10-4-6-13-21(18)24(22)25-19/h3-6,9-10,12-13,19,22H,7-8,11,14-16H2,1-2H3
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| InChIKey |
RUNAWWHMBJYHQQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor