General Information of the Compound
| Compound ID |
CP0406839
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| Compound Name |
US9422293, 57B
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| Structure |
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| Formula |
C27H26F6N6O2
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| Molecular Weight |
580.533
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H26F6N6O2/c28-26(29,30)17-3-5-18(6-4-17)35-22-19-9-14-38(23-20(27(31,32)33)2-1-11-34-23)15-10-21(19)36-25(37-22)39-12-7-16(8-13-39)24(40)41/h1-6,11,16H,7-10,12-15H2,(H,40,41)(H,35,36,37)
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| InChIKey |
CPEMKRPYGQZVCV-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