General Information of the Compound
| Compound ID |
CP0488319
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| Compound Name |
US9029370, 28
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| Structure |
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| Formula |
C21H18FN5O2
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| Molecular Weight |
391.406
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| Canonical SMILES |
Fc1ccc(cc1)-n1ccc(n1)C(=O)Nc1ccc(cc1C#N)C1CNCCO1
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| InChI |
InChI=1S/C21H18FN5O2/c22-16-2-4-17(5-3-16)27-9-7-19(26-27)21(28)25-18-6-1-14(11-15(18)12-23)20-13-24-8-10-29-20/h1-7,9,11,20,24H,8,10,13H2,(H,25,28)
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| InChIKey |
WSLLYGXCNYEFLW-UHFFFAOYSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1