General Information of the Compound
| Compound ID |
CP0372936
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| Compound Name |
1-(9-methoxy-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
COc1ccc2Cc3ccccc3N3OC(CN(C)C)CC3c2c1
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| InChI |
InChI=1S/C20H24N2O2/c1-21(2)13-17-12-20-18-11-16(23-3)9-8-14(18)10-15-6-4-5-7-19(15)22(20)24-17/h4-9,11,17,20H,10,12-13H2,1-3H3
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| InChIKey |
RTEBNFQOFLORPE-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