General Information of the Compound
| Compound ID |
CP0518511
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| Compound Name |
US9422293, 72B
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| Structure |
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| Formula |
C22H22F3N7O2
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| Molecular Weight |
473.459
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| Canonical SMILES |
CN(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)[N+]([O-])=O)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C22H22F3N7O2/c1-30(2)21-28-18-10-13-31(20-17(22(23,24)25)4-3-11-26-20)12-9-16(18)19(29-21)27-14-5-7-15(8-6-14)32(33)34/h3-8,11H,9-10,12-13H2,1-2H3,(H,27,28,29)
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| InChIKey |
RLWDBFULVIGPQS-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