General Information of the Compound
| Compound ID |
CP0545603
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| Compound Name |
US9422293, 52
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| Structure |
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| Formula |
C22H19F6N5S
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| Molecular Weight |
499.484
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H19F6N5S/c1-34-20-31-17-9-12-33(19-16(22(26,27)28)3-2-10-29-19)11-8-15(17)18(32-20)30-14-6-4-13(5-7-14)21(23,24)25/h2-7,10H,8-9,11-12H2,1H3,(H,30,31,32)
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| InChIKey |
GJHZFPALSRCPHE-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