General Information of the Compound
| Compound ID |
CP0539899
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| Compound Name |
US10501411, Example 101
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| Structure |
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| Formula |
C20H23ClN2O
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| Molecular Weight |
342.87
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| Canonical SMILES |
Clc1ccc(CCC(=O)Nc2ccc(cc2)C2CCCNC2)cc1
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| InChI |
InChI=1S/C20H23ClN2O/c21-18-8-3-15(4-9-18)5-12-20(24)23-19-10-6-16(7-11-19)17-2-1-13-22-14-17/h3-4,6-11,17,22H,1-2,5,12-14H2,(H,23,24)
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| InChIKey |
VIYJRKFUMOHQLD-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