General Information of the Compound
| Compound ID |
CP0550739
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| Compound Name |
US9422293, 301
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| Structure |
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| Formula |
C22H22F3N5O2S
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| Molecular Weight |
477.512
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| Canonical SMILES |
CCS(=O)(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2CC1
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| InChI |
InChI=1S/C22H22F3N5O2S/c1-2-33(31,32)19-4-3-11-26-21(19)30-12-9-17-18(10-13-30)27-14-28-20(17)29-16-7-5-15(6-8-16)22(23,24)25/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,27,28,29)
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| InChIKey |
MSHZVURBRWELOU-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