General Information of the Compound
| Compound ID |
CP0566202
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| Compound Name |
US8802673, 39
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| Structure |
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| Formula |
C16H19N3O2
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| Molecular Weight |
285.347
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| Canonical SMILES |
COc1ccnc(Nc2ccc(cc2)[C@H]2CNCCO2)c1
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| InChI |
InChI=1S/C16H19N3O2/c1-20-14-6-7-18-16(10-14)19-13-4-2-12(3-5-13)15-11-17-8-9-21-15/h2-7,10,15,17H,8-9,11H2,1H3,(H,18,19)/t15-/m1/s1
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| InChIKey |
FPJKBPSCJPCMAB-OAHLLOKOSA-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