General Information of the Compound
| Compound ID |
CP0413296
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| Compound Name |
US9422293, 109
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| Structure |
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| Formula |
C23H22Cl2F3N5
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| Molecular Weight |
496.364
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C23H22Cl2F3N5/c1-13(2)20-31-19-8-11-33(22-16(23(26,27)28)4-3-9-29-22)10-7-15(19)21(32-20)30-14-5-6-17(24)18(25)12-14/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,30,31,32)
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| InChIKey |
ZZSJKJSXOFQQTO-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