General Information of the Compound
| Compound ID |
CP0443846
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| Compound Name |
US8802673, 176
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| Structure |
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| Formula |
C14H16N4O
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| Molecular Weight |
256.309
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| Canonical SMILES |
C1CO[C@@H](CN1)c1ccc(Nc2ncccn2)cc1
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| InChI |
InChI=1S/C14H16N4O/c1-6-16-14(17-7-1)18-12-4-2-11(3-5-12)13-10-15-8-9-19-13/h1-7,13,15H,8-10H2,(H,16,17,18)/t13-/m0/s1
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| InChIKey |
GRTXXEQLBRFGLV-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