General Information of the Compound
| Compound ID |
CP0491899
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| Compound Name |
US11697636, Example 176
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| Structure |
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| Formula |
C20H22Cl2N2O
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| Molecular Weight |
377.315
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| Canonical SMILES |
Clc1ccc(cc1Cl)C(=O)Nc1ccc(CCC2CCCCN2)cc1
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| InChI |
InChI=1S/C20H22Cl2N2O/c21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16/h5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25)
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| InChIKey |
MGNGFZXDCWQENS-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