General Information of the Compound
| Compound ID |
CP0479618
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| Compound Name |
US9422293, 322
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| Structure |
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| Formula |
C26H25F6N5O4S
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| Molecular Weight |
617.572
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(OC3CCOCC3)nc(Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)c2CC1
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| InChI |
InChI=1S/C26H25F6N5O4S/c27-25(28,29)20-2-1-11-33-23(20)37-12-7-19-21(8-13-37)35-24(41-17-9-14-40-15-10-17)36-22(19)34-16-3-5-18(6-4-16)42(38,39)26(30,31)32/h1-6,11,17H,7-10,12-15H2,(H,34,35,36)
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| InChIKey |
MLWDMZGDTGYDRS-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