General Information of the Compound
| Compound ID |
CP0469602
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| Compound Name |
US10501411, Example 194
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| Structure |
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| Formula |
C17H16N4O2
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| Molecular Weight |
308.341
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CNCCO1)c1ccc(nc1)C#N
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| InChI |
InChI=1S/C17H16N4O2/c18-9-15-6-3-13(10-20-15)17(22)21-14-4-1-12(2-5-14)16-11-19-7-8-23-16/h1-6,10,16,19H,7-8,11H2,(H,21,22)
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| InChIKey |
MQFBCPOULYPWAQ-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