General Information of the Compound
| Compound ID |
CP0450285
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| Compound Name |
US9029370, 116
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| Structure |
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| Formula |
C17H16ClFN4O3
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| Molecular Weight |
378.791
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| Canonical SMILES |
NC(=O)c1cc(cc(Cl)n1)C(=O)Nc1ccc([C@H]2CNCCO2)c(F)c1
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| InChI |
InChI=1S/C17H16ClFN4O3/c18-15-6-9(5-13(23-15)16(20)24)17(25)22-10-1-2-11(12(19)7-10)14-8-21-3-4-26-14/h1-2,5-7,14,21H,3-4,8H2,(H2,20,24)(H,22,25)/t14-/m1/s1
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| InChIKey |
YYAOHSXHVINJNK-CQSZACIVSA-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