General Information of the Compound
| Compound ID |
CP0930207
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| Compound Name |
US9181230, 33
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| Structure |
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| Formula |
C20H17FN4O
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| Molecular Weight |
348.381
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| Canonical SMILES |
N#Cc1ccc(-c2cc(-c3ccc([C@H]4CNCCO4)cc3)n[nH]2)c(F)c1
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| InChI |
InChI=1S/C20H17FN4O/c21-17-9-13(11-22)1-6-16(17)19-10-18(24-25-19)14-2-4-15(5-3-14)20-12-23-7-8-26-20/h1-6,9-10,20,23H,7-8,12H2,(H,24,25)/t20-/m1/s1
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| InChIKey |
NOMBWFPRXURLHR-HXUWFJFHSA-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