General Information of the Compound
| Compound ID |
CP0555958
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| Compound Name |
US10501411, Example 32
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| Structure |
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| Formula |
C18H19ClN2O
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| Molecular Weight |
314.816
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| Canonical SMILES |
CN1CCC(C1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C18H19ClN2O/c1-21-11-10-15(12-21)13-4-8-17(9-5-13)20-18(22)14-2-6-16(19)7-3-14/h2-9,15H,10-12H2,1H3,(H,20,22)
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| InChIKey |
GAQMOCINZAOPID-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