General Information of the Compound
| Compound ID |
CP0394693
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| Compound Name |
(R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylmethyl)-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-4-yl]-ethylamine
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| Structure |
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| Formula |
C17H21N3O3
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| Molecular Weight |
315.373
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| Canonical SMILES |
C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
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| InChI |
InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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| InChIKey |
WBYWETHMETVDKR-SECBINFHSA-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