General Information of the Compound
| Compound ID |
CP0516913
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| Compound Name |
US10501411, Example 133
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| Structure |
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| Formula |
C18H19F2N3O
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| Molecular Weight |
331.366
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| Canonical SMILES |
Fc1cnc(C(=O)Nc2ccc(CCC3CCNC3)cc2)c(F)c1
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| InChI |
InChI=1S/C18H19F2N3O/c19-14-9-16(20)17(22-11-14)18(24)23-15-5-3-12(4-6-15)1-2-13-7-8-21-10-13/h3-6,9,11,13,21H,1-2,7-8,10H2,(H,23,24)
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| InChIKey |
APWHZOSSXYMDSS-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