General Information of the Compound
| Compound ID |
CP0494953
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| Compound Name |
US9422293, 207
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| Structure |
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| Formula |
C25H28F3N5O2S
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| Molecular Weight |
519.593
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C25H28F3N5O2S/c1-24(2,3)16-7-9-17(10-8-16)30-21-18-11-14-33(22-19(25(26,27)28)6-5-13-29-22)15-12-20(18)31-23(32-21)36(4,34)35/h5-10,13H,11-12,14-15H2,1-4H3,(H,30,31,32)
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| InChIKey |
VVFYLJFRGLJTOQ-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