General Information of the Compound
| Compound ID |
CP0515643
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| Compound Name |
US10501411, Example 129
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C1CCNC1)OC1Cc2ccccc2C1
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| InChI |
InChI=1S/C20H22N2O2/c23-20(24-19-11-15-3-1-2-4-16(15)12-19)22-18-7-5-14(6-8-18)17-9-10-21-13-17/h1-8,17,19,21H,9-13H2,(H,22,23)
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| InChIKey |
FCNLZUJBRFYADI-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