General Information of the Compound
| Compound ID |
CP0553384
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| Compound Name |
US9029370, 131
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| Structure |
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| Formula |
C19H16FN7O2
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| Molecular Weight |
393.382
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| Canonical SMILES |
Fc1cc(NC(=O)c2cnn(c2)-c2cnc(cn2)C#N)ccc1[C@H]1CNCCO1
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| InChI |
InChI=1S/C19H16FN7O2/c20-16-5-13(1-2-15(16)17-9-22-3-4-29-17)26-19(28)12-7-25-27(11-12)18-10-23-14(6-21)8-24-18/h1-2,5,7-8,10-11,17,22H,3-4,9H2,(H,26,28)/t17-/m1/s1
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| InChIKey |
FARGHFZJUXXRLD-QGZVFWFLSA-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