General Information of the Compound
| Compound ID |
CP0494952
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| Compound Name |
US9422293, 199
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| Structure |
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| Formula |
C27H33F3N6
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| Molecular Weight |
498.597
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(c(N)c2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H33F3N6/c1-16(2)23-34-22-11-14-36(25-20(27(28,29)30)7-6-12-32-25)13-10-18(22)24(35-23)33-17-8-9-19(21(31)15-17)26(3,4)5/h6-9,12,15-16H,10-11,13-14,31H2,1-5H3,(H,33,34,35)
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| InChIKey |
ZAKRQXFSYHWQIR-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