General Information of the Compound
| Compound ID |
CP0431008
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| Compound Name |
N,N-dimethyl-1-(17-phenyl-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanamine
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| Structure |
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| Formula |
C25H26N2O
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| Molecular Weight |
370.496
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| Canonical SMILES |
CN(C)CC1CC2N(O1)c1cc(ccc1Cc1ccccc21)-c1ccccc1
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| InChI |
InChI=1S/C25H26N2O/c1-26(2)17-22-16-25-23-11-7-6-10-20(23)14-21-13-12-19(15-24(21)27(25)28-22)18-8-4-3-5-9-18/h3-13,15,22,25H,14,16-17H2,1-2H3
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| InChIKey |
RUWZQSJWDUNAEU-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