General Information of the Compound
| Compound ID |
CP0387672
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| Compound Name |
US10501411, Example 248
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| Structure |
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| Formula |
C17H17F3N4O
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| Molecular Weight |
350.344
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| Canonical SMILES |
FC(F)(F)c1cnc(cn1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C17H17F3N4O/c18-17(19,20)15-10-22-14(9-23-15)16(25)24-13-5-3-11(4-6-13)12-2-1-7-21-8-12/h3-6,9-10,12,21H,1-2,7-8H2,(H,24,25)/t12-/m1/s1
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| InChIKey |
IVECQXBPQCCNPZ-GFCCVEGCSA-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