General Information of the Compound
| Compound ID |
CP0519702
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| Compound Name |
US9422293, 350
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| Structure |
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| Formula |
C27H21F6N5O2S2
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| Molecular Weight |
625.62
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(Sc3ccccc3)nc(Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)c2CC1
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| InChI |
InChI=1S/C27H21F6N5O2S2/c28-26(29,30)21-7-4-14-34-24(21)38-15-12-20-22(13-16-38)36-25(41-18-5-2-1-3-6-18)37-23(20)35-17-8-10-19(11-9-17)42(39,40)27(31,32)33/h1-11,14H,12-13,15-16H2,(H,35,36,37)
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| InChIKey |
WITPMPZFBDMRMO-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