General Information of the Compound
| Compound ID |
CP0572451
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| Compound Name |
US9422293, 291
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| Structure |
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| Formula |
C24H22F6N6O2
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| Molecular Weight |
540.468
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncc(cc1C(F)(F)F)[N+]([O-])=O
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| InChI |
InChI=1S/C24H22F6N6O2/c1-13(2)20-33-19-8-10-35(22-18(24(28,29)30)11-16(12-31-22)36(37)38)9-7-17(19)21(34-20)32-15-5-3-14(4-6-15)23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H,32,33,34)
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| InChIKey |
ISMANKQARRHHNX-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