General Information of the Compound
| Compound ID |
CP0419404
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| Compound Name |
US9181230, 22
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| Structure |
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| Formula |
C19H19FN2O2
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| Molecular Weight |
326.371
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| Canonical SMILES |
Fc1ccc(cc1)[C@@H]1COC(=N1)c1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C19H19FN2O2/c20-16-7-5-13(6-8-16)17-12-24-19(22-17)15-3-1-14(2-4-15)18-11-21-9-10-23-18/h1-8,17-18,21H,9-12H2/t17-,18+/m0/s1
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| InChIKey |
BTLBAHJDUKEBCM-ZWKOTPCHSA-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