General Information of the Compound
| Compound ID |
CP0419405
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| Compound Name |
US9181230, 25
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| Structure |
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| Formula |
C18H17FN4O
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| Molecular Weight |
324.359
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| Canonical SMILES |
Fc1ccc(cc1)-c1ncn(n1)-c1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C18H17FN4O/c19-15-5-1-14(2-6-15)18-21-12-23(22-18)16-7-3-13(4-8-16)17-11-20-9-10-24-17/h1-8,12,17,20H,9-11H2/t17-/m1/s1
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| InChIKey |
XHWKDLRYOUYHFC-QGZVFWFLSA-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