General Information of the Compound
| Compound ID |
CP0490937
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| Compound Name |
US9422293, 19
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| Structure |
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| Formula |
C23H20F6N6
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| Molecular Weight |
494.443
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C2CC2)nc1
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| InChI |
InChI=1S/C23H20F6N6/c24-22(25,26)14-5-6-18(31-12-14)33-20-15-7-10-35(21-16(23(27,28)29)2-1-9-30-21)11-8-17(15)32-19(34-20)13-3-4-13/h1-2,5-6,9,12-13H,3-4,7-8,10-11H2,(H,31,32,33,34)
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| InChIKey |
CXTXSQCXQAHIJD-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