General Information of the Compound
| Compound ID |
CP0868682
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| Compound Name |
US9181230, 49
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| Structure |
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| Formula |
C16H14F3N3O
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| Molecular Weight |
321.302
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| Canonical SMILES |
FC(F)(F)c1ccc2c(n1)[nH]c1ccc([C@H]3CNCCO3)cc12
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| InChI |
InChI=1S/C16H14F3N3O/c17-16(18,19)14-4-2-10-11-7-9(13-8-20-5-6-23-13)1-3-12(11)21-15(10)22-14/h1-4,7,13,20H,5-6,8H2,(H,21,22)/t13-/m1/s1
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| InChIKey |
NPRYQYIFPROKNO-CYBMUJFWSA-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