General Information of the Compound
| Compound ID |
CP0488360
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| Compound Name |
US9422293, 300
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| Structure |
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| Formula |
C28H34F3N7O2S
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| Molecular Weight |
589.688
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| Canonical SMILES |
CC(C)NS(=O)(=O)c1cccnc1N1CCc2nc(nc(Nc3ccc(cc3)C(F)(F)F)c2CC1)N1CCCCC1
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| InChI |
InChI=1S/C28H34F3N7O2S/c1-19(2)36-41(39,40)24-7-6-14-32-26(24)37-17-12-22-23(13-18-37)34-27(38-15-4-3-5-16-38)35-25(22)33-21-10-8-20(9-11-21)28(29,30)31/h6-11,14,19,36H,3-5,12-13,15-18H2,1-2H3,(H,33,34,35)
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| InChIKey |
VXBXFGLJWHFFOI-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