General Information of the Compound
| Compound ID |
CP0444902
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| Compound Name |
US9422293, 305
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| Structure |
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| Formula |
C23H24F3N5O2S2
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| Molecular Weight |
523.606
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| Canonical SMILES |
CCS(=O)(=O)c1cccnc1N1CCc2nc(SC)nc(Nc3ccc(cc3)C(F)(F)F)c2CC1
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| InChI |
InChI=1S/C23H24F3N5O2S2/c1-3-35(32,33)19-5-4-12-27-21(19)31-13-10-17-18(11-14-31)29-22(34-2)30-20(17)28-16-8-6-15(7-9-16)23(24,25)26/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,28,29,30)
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| InChIKey |
KHWHDCYNLJXMGZ-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