General Information of the Compound
| Compound ID |
CP0413475
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| Compound Name |
US9422293, 93B
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| Structure |
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| Formula |
C25H26F6N6O
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| Molecular Weight |
540.512
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| Canonical SMILES |
COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H26F6N6O/c1-36(14-15-38-2)23-34-20-10-13-37(22-19(25(29,30)31)4-3-11-32-22)12-9-18(20)21(35-23)33-17-7-5-16(6-8-17)24(26,27)28/h3-8,11H,9-10,12-15H2,1-2H3,(H,33,34,35)
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| InChIKey |
NHSVWKGZRKFGFF-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