General Information of the Compound
| Compound ID |
CP0468226
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| Compound Name |
US9029370, 120
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| Structure |
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| Formula |
C18H19FN4O4
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| Molecular Weight |
374.372
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| Canonical SMILES |
COc1cc(cc(n1)C(N)=O)C(=O)Nc1ccc(cc1F)[C@H]1CNCCO1
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| InChI |
InChI=1S/C18H19FN4O4/c1-26-16-8-11(7-14(22-16)17(20)24)18(25)23-13-3-2-10(6-12(13)19)15-9-21-4-5-27-15/h2-3,6-8,15,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25)/t15-/m1/s1
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| InChIKey |
CVAOODJQYWCPPA-OAHLLOKOSA-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