General Information of the Compound
| Compound ID |
CP0500334
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| Compound Name |
US8802673, 23
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| Structure |
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| Formula |
C18H19N3O
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| Molecular Weight |
293.37
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| Canonical SMILES |
N#Cc1ccc(CNc2ccc(cc2)[C@H]2CNCCO2)cc1
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| InChI |
InChI=1S/C18H19N3O/c19-11-14-1-3-15(4-2-14)12-21-17-7-5-16(6-8-17)18-13-20-9-10-22-18/h1-8,18,20-21H,9-10,12-13H2/t18-/m1/s1
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| InChIKey |
VNDUWHACNJQXJS-GOSISDBHSA-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