General Information of the Compound
| Compound ID |
CP0512930
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| Compound Name |
US10501411, Example 117
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| Structure |
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| Formula |
C18H20ClN3O
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| Molecular Weight |
329.831
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| Canonical SMILES |
Clc1ccc(nc1)C(=O)Nc1ccc(CCC2CCNC2)cc1
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| InChI |
InChI=1S/C18H20ClN3O/c19-15-5-8-17(21-12-15)18(23)22-16-6-3-13(4-7-16)1-2-14-9-10-20-11-14/h3-8,12,14,20H,1-2,9-11H2,(H,22,23)
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| InChIKey |
WCTBUVFUFIYOJI-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