General Information of the Compound
| Compound ID |
CP0509208
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| Compound Name |
US8802673, 142
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1
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| InChI |
InChI=1S/C22H24N4O3/c1-27-19-8-5-16(11-20(19)28-2)17-12-24-22(25-13-17)26-18-6-3-15(4-7-18)21-14-23-9-10-29-21/h3-8,11-13,21,23H,9-10,14H2,1-2H3,(H,24,25,26)/t21-/m0/s1
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| InChIKey |
UCIFSJUBFPXWQV-NRFANRHFSA-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