General Information of the Compound
| Compound ID |
CP0516914
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| Compound Name |
US11697636, Example 164
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| Structure |
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| Formula |
C17H19ClN4O
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| Molecular Weight |
330.819
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| Canonical SMILES |
Clc1cnc(cn1)C(=O)Nc1ccc(CCC2CCCN2)cc1
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| InChI |
InChI=1S/C17H19ClN4O/c18-16-11-20-15(10-21-16)17(23)22-14-7-4-12(5-8-14)3-6-13-2-1-9-19-13/h4-5,7-8,10-11,13,19H,1-3,6,9H2,(H,22,23)
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| InChIKey |
ISNHDEFBQIGMAB-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