General Information of the Compound
| Compound ID |
CP0520872
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| Compound Name |
US9422293, 88
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| Structure |
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| Formula |
C23H23F3N6O2
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| Molecular Weight |
472.471
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1[N+]([O-])=O
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| InChI |
InChI=1S/C23H23F3N6O2/c1-14(2)20-29-18-10-13-31(22-19(32(33)34)4-3-11-27-22)12-9-17(18)21(30-20)28-16-7-5-15(6-8-16)23(24,25)26/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,28,29,30)
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| InChIKey |
WGNGPHNXHSDEPW-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1