General Information of the Compound
| Compound ID |
CP0490530
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| Compound Name |
US8802673, 92
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| Structure |
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| Formula |
C16H19N5O
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| Molecular Weight |
297.362
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| Canonical SMILES |
C1CC1c1cnc(Nc2ccc(cn2)C2CNCCO2)nc1
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| InChI |
InChI=1S/C16H19N5O/c1-2-11(1)13-8-19-16(20-9-13)21-15-4-3-12(7-18-15)14-10-17-5-6-22-14/h3-4,7-9,11,14,17H,1-2,5-6,10H2,(H,18,19,20,21)
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| InChIKey |
PKAADSNGDLSZED-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