General Information of the Compound
| Compound ID |
CP0560152
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| Compound Name |
US11697636, Example 177
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| Structure |
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| Formula |
C22H24N2O
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| Molecular Weight |
332.447
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| Canonical SMILES |
O=C(Nc1ccc(CCC2CCCCN2)cc1)c1ccc(cc1)C#C
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| InChI |
InChI=1S/C22H24N2O/c1-2-17-6-11-19(12-7-17)22(25)24-21-14-9-18(10-15-21)8-13-20-5-3-4-16-23-20/h1,6-7,9-12,14-15,20,23H,3-5,8,13,16H2,(H,24,25)
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| InChIKey |
DUGDGYJYGAREFI-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