General Information of the Compound
| Compound ID |
CP0486281
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| Compound Name |
US9422293, 251
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| Structure |
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| Formula |
C26H27Cl2F3N6
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| Molecular Weight |
551.444
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(nc(NCc3ccc(Cl)c(Cl)c3)c2CC1)N1CCCCC1
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| InChI |
InChI=1S/C26H27Cl2F3N6/c27-20-7-6-17(15-21(20)28)16-33-23-18-8-13-36(24-19(26(29,30)31)5-4-10-32-24)14-9-22(18)34-25(35-23)37-11-2-1-3-12-37/h4-7,10,15H,1-3,8-9,11-14,16H2,(H,33,34,35)
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| InChIKey |
KRDALYDKMUAVPE-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