General Information of the Compound
| Compound ID |
CP0442891
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| Compound Name |
US8802673, 42
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| Structure |
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| Formula |
C16H16F3N3O
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| Molecular Weight |
323.318
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| Canonical SMILES |
FC(F)(F)c1ccnc(Nc2ccc(cc2)[C@H]2CNCCO2)c1
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| InChI |
InChI=1S/C16H16F3N3O/c17-16(18,19)12-5-6-21-15(9-12)22-13-3-1-11(2-4-13)14-10-20-7-8-23-14/h1-6,9,14,20H,7-8,10H2,(H,21,22)/t14-/m1/s1
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| InChIKey |
ZPGHIPMROQDEDW-CQSZACIVSA-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