General Information of the Compound
| Compound ID |
CP0499652
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| Compound Name |
US9422293, 314
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| Structure |
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| Formula |
C28H31F3N6O4S
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| Molecular Weight |
604.655
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(OC3CCOC3)nc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)c2CC1
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| InChI |
InChI=1S/C28H31F3N6O4S/c29-28(30,31)23-4-3-12-32-26(23)36-15-9-22-24(10-16-36)34-27(41-20-11-17-40-18-20)35-25(22)33-19-5-7-21(8-6-19)42(38,39)37-13-1-2-14-37/h3-8,12,20H,1-2,9-11,13-18H2,(H,33,34,35)
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| InChIKey |
JOUCITRTHIGIQP-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