General Information of the Compound
| Compound ID |
CP0928985
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| Compound Name |
US9181230, 13
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| Structure |
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| Formula |
C19H17F2N3O
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| Molecular Weight |
341.361
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| Canonical SMILES |
Fc1ccc(-c2cc(-c3ccc([C@H]4CNCCO4)cc3)n[nH]2)c(F)c1
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| InChI |
InChI=1S/C19H17F2N3O/c20-14-5-6-15(16(21)9-14)18-10-17(23-24-18)12-1-3-13(4-2-12)19-11-22-7-8-25-19/h1-6,9-10,19,22H,7-8,11H2,(H,23,24)/t19-/m1/s1
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| InChIKey |
SBBCKCFCSKBBPJ-LJQANCHMSA-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