General Information of the Compound
| Compound ID |
CP0422011
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| Compound Name |
US9434692, 52
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| Structure |
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| Formula |
C17H18BrFN4O2
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| Molecular Weight |
409.259
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| Canonical SMILES |
Cc1[nH]nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br
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| InChI |
InChI=1S/C17H18BrFN4O2/c1-11-15(18)16(21-20-11)17(25)23-8-6-22(7-9-23)10-14(24)12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3,(H,20,21)
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| InChIKey |
YGGFKWOPUZGHPY-UHFFFAOYSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C