General Information of the Compound
| Compound ID |
CP0541878
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| Compound Name |
US8802673, 20
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| Structure |
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| Formula |
C18H22N2O2
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| Molecular Weight |
298.386
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| Canonical SMILES |
COc1ccc(CNc2ccc(cc2)[C@H]2CNCCO2)cc1
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| InChI |
InChI=1S/C18H22N2O2/c1-21-17-8-2-14(3-9-17)12-20-16-6-4-15(5-7-16)18-13-19-10-11-22-18/h2-9,18-20H,10-13H2,1H3/t18-/m1/s1
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| InChIKey |
BLNVIMYBVSDGSQ-GOSISDBHSA-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT06968, Trace amine-associated receptor 7b