General Information of the Compound
| Compound ID |
CP0441604
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| Compound Name |
US9029370, 78
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| Structure |
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| Formula |
C19H20F3N3O3
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| Molecular Weight |
395.381
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| Canonical SMILES |
FC(F)Oc1cccc(CNC(=O)Nc2ccc(cc2F)[C@H]2CNCCO2)c1
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| InChI |
InChI=1S/C19H20F3N3O3/c20-15-9-13(17-11-23-6-7-27-17)4-5-16(15)25-19(26)24-10-12-2-1-3-14(8-12)28-18(21)22/h1-5,8-9,17-18,23H,6-7,10-11H2,(H2,24,25,26)/t17-/m1/s1
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| InChIKey |
QWRFRBFGFHDFNT-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1