General Information of the Compound
| Compound ID |
CP0490971
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| Compound Name |
US9422293, 34
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| Structure |
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| Formula |
C27H27F3N6
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| Molecular Weight |
492.549
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1nc2ccccc2nc1C
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| InChI |
InChI=1S/C27H27F3N6/c1-16(2)24-33-21-13-15-36(26-17(3)31-22-6-4-5-7-23(22)34-26)14-12-20(21)25(35-24)32-19-10-8-18(9-11-19)27(28,29)30/h4-11,16H,12-15H2,1-3H3,(H,32,33,35)
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| InChIKey |
QFHBTUBWAISKGT-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