General Information of the Compound
| Compound ID |
CP0554133
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| Compound Name |
US11697636, Example 174
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| Structure |
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| Formula |
C18H21ClN4O
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| Molecular Weight |
344.846
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| Canonical SMILES |
Clc1cnc(cn1)C(=O)Nc1ccc(CCC2CCCCN2)cc1
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| InChI |
InChI=1S/C18H21ClN4O/c19-17-12-21-16(11-22-17)18(24)23-15-8-5-13(6-9-15)4-7-14-3-1-2-10-20-14/h5-6,8-9,11-12,14,20H,1-4,7,10H2,(H,23,24)
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| InChIKey |
MPXVZZMYWQQGHV-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