General Information of the Compound
| Compound ID |
CP0560268
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| Compound Name |
US8802673, 28
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| Structure |
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| Formula |
C17H21N3O2
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| Molecular Weight |
299.374
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| Canonical SMILES |
COc1cccc(CNc2ccc(cc2)[C@H]2CNCCO2)n1
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| InChI |
InChI=1S/C17H21N3O2/c1-21-17-4-2-3-15(20-17)11-19-14-7-5-13(6-8-14)16-12-18-9-10-22-16/h2-8,16,18-19H,9-12H2,1H3/t16-/m1/s1
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| InChIKey |
HAXZLYPMPDNFIJ-MRXNPFEDSA-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