General Information of the Compound
| Compound ID |
CP0386668
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| Compound Name |
US10501411, Example 94
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| Structure |
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| Formula |
C17H19N3O2
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| Molecular Weight |
297.358
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| Canonical SMILES |
COc1ccc(nc1)C(=O)Nc1ccc(cc1)C1CCNC1
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| InChI |
InChI=1S/C17H19N3O2/c1-22-15-6-7-16(19-11-15)17(21)20-14-4-2-12(3-5-14)13-8-9-18-10-13/h2-7,11,13,18H,8-10H2,1H3,(H,20,21)
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| InChIKey |
NFRDYVXNBLCOIP-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: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1