General Information of the Compound
| Compound ID |
CP0515871
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| Compound Name |
N,N-dimethyl-1-[9-(trifluoromethyl)-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl]methanamine
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| Structure |
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| Formula |
C20H21F3N2O
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| Molecular Weight |
362.395
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| Canonical SMILES |
CN(C)CC1CC2N(O1)c1ccccc1Cc1ccc(cc21)C(F)(F)F
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| InChI |
InChI=1S/C20H21F3N2O/c1-24(2)12-16-11-19-17-10-15(20(21,22)23)8-7-13(17)9-14-5-3-4-6-18(14)25(19)26-16/h3-8,10,16,19H,9,11-12H2,1-2H3
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| InChIKey |
WPLHYZJLPBROHU-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