General Information of the Compound
| Compound ID |
CP0413295
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| Compound Name |
US9422293, 105
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| Structure |
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| Formula |
C21H22F3N7
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| Molecular Weight |
429.45
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccncn2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N7/c1-13(2)18-28-16-7-11-31(20-15(21(22,23)24)4-3-8-26-20)10-6-14(16)19(30-18)29-17-5-9-25-12-27-17/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,25,27,28,29,30)
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| InChIKey |
HGMDWMYRICKNCH-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1