General Information of the Compound
| Compound ID |
CP0491091
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| Compound Name |
US8802673, 183
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| Structure |
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| Formula |
C16H20N4O3
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| Molecular Weight |
316.361
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| Canonical SMILES |
COc1cc(OC)nc(Nc2ccc(cc2)[C@@H]2CNCCO2)n1
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| InChI |
InChI=1S/C16H20N4O3/c1-21-14-9-15(22-2)20-16(19-14)18-12-5-3-11(4-6-12)13-10-17-7-8-23-13/h3-6,9,13,17H,7-8,10H2,1-2H3,(H,18,19,20)/t13-/m0/s1
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| InChIKey |
BEDHMXIJNIYXFG-ZDUSSCGKSA-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