General Information of the Compound
| Compound ID |
CP0400449
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| Compound Name |
US8802673, 161
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| Structure |
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| Formula |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
C(c1ccccc1)n1ccc(Nc2ccc(cc2)[C@H]2CNCCO2)n1
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| InChI |
InChI=1S/C20H22N4O/c1-2-4-16(5-3-1)15-24-12-10-20(23-24)22-18-8-6-17(7-9-18)19-14-21-11-13-25-19/h1-10,12,19,21H,11,13-15H2,(H,22,23)/t19-/m1/s1
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| InChIKey |
FECQBRYEGPGWBE-LJQANCHMSA-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