General Information of the Compound
| Compound ID |
CP0474803
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| Compound Name |
US9422293, 354
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| Structure |
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| Formula |
C27H27F6N5S
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| Molecular Weight |
567.603
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(SC3CCCCC3)nc3CCN(CCc23)c2ncccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H27F6N5S/c28-26(29,30)17-8-10-18(11-9-17)35-23-20-12-15-38(24-21(27(31,32)33)7-4-14-34-24)16-13-22(20)36-25(37-23)39-19-5-2-1-3-6-19/h4,7-11,14,19H,1-3,5-6,12-13,15-16H2,(H,35,36,37)
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| InChIKey |
FENXUMAYDWPKAA-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