General Information of the Compound
| Compound ID |
CP0512019
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| Compound Name |
US9029370, 138
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| Structure |
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| Formula |
C18H20FN3O3
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| Molecular Weight |
345.374
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| Canonical SMILES |
CCOc1ccc(cn1)C(=O)Nc1ccc(cc1F)[C@H]1CNCCO1
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| InChI |
InChI=1S/C18H20FN3O3/c1-2-24-17-6-4-13(10-21-17)18(23)22-15-5-3-12(9-14(15)19)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m1/s1
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| InChIKey |
WFWLQBHKCLCDNC-MRXNPFEDSA-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