General Information of the Compound
| Compound ID |
CP0480864
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| Compound Name |
US9422293, 347
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| Structure |
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| Formula |
C26H27F3N6O
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| Molecular Weight |
496.537
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| Canonical SMILES |
COCc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C#N)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H27F3N6O/c1-25(2,16-30)17-6-8-18(9-7-17)32-23-19-10-13-35(14-11-21(19)33-22(34-23)15-36-3)24-20(26(27,28)29)5-4-12-31-24/h4-9,12H,10-11,13-15H2,1-3H3,(H,32,33,34)
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| InChIKey |
PEOVLIQUGFAOKG-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