General Information of the Compound
| Compound ID |
CP0451905
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| Compound Name |
US9029370, 25
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| Structure |
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| Formula |
C17H17ClFN3O3
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| Molecular Weight |
365.792
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| Canonical SMILES |
COc1cc(cc(Cl)n1)C(=O)Nc1ccc(cc1F)[C@H]1CNCCO1
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| InChI |
InChI=1S/C17H17ClFN3O3/c1-24-16-8-11(7-15(18)22-16)17(23)21-13-3-2-10(6-12(13)19)14-9-20-4-5-25-14/h2-3,6-8,14,20H,4-5,9H2,1H3,(H,21,23)/t14-/m1/s1
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| InChIKey |
WCVQGPBNASZYPQ-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