General Information of the Compound
| Compound ID |
CP0481137
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| Compound Name |
US9422293, 4
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| Structure |
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| Formula |
C23H21ClF3N5
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| Molecular Weight |
459.903
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(nc(Nc3ccc(Cl)cc3)c2CC1)C1CC1
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| InChI |
InChI=1S/C23H21ClF3N5/c24-15-5-7-16(8-6-15)29-21-17-9-12-32(22-18(23(25,26)27)2-1-11-28-22)13-10-19(17)30-20(31-21)14-3-4-14/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,29,30,31)
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| InChIKey |
YTJCKQRSCBUBPB-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