General Information of the Compound
| Compound ID |
CP0509207
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| Compound Name |
US8802673, 140
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| Structure |
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| Formula |
C14H18N4O
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| Molecular Weight |
258.325
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| Canonical SMILES |
Cn1ccc(Nc2ccc(cc2)C2CNCCO2)n1
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| InChI |
InChI=1S/C14H18N4O/c1-18-8-6-14(17-18)16-12-4-2-11(3-5-12)13-10-15-7-9-19-13/h2-6,8,13,15H,7,9-10H2,1H3,(H,16,17)
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| InChIKey |
CPAWBSUVPJCERW-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT06968, Trace amine-associated receptor 7b