General Information of the Compound
| Compound ID |
CP0451453
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| Compound Name |
US9422293, 299
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| Structure |
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| Formula |
C28H32F3N7O2S
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| Molecular Weight |
587.672
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2S(=O)(=O)NC2CC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C28H32F3N7O2S/c29-28(30,31)19-6-8-20(9-7-19)33-25-22-12-17-37(18-13-23(22)34-27(35-25)38-15-2-1-3-16-38)26-24(5-4-14-32-26)41(39,40)36-21-10-11-21/h4-9,14,21,36H,1-3,10-13,15-18H2,(H,33,34,35)
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| InChIKey |
NSBCDLRQVUDGIM-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